1-phenylpropan-2-one [Phenylacetone; P2P] [CAS 103-79-7; InChIKey QCCDLTOVEPVEJK-UHFFFAOYSA-N by Asch

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Reaxys ID 742120 View in Reaxys

1/31 CAS Registry Number: 103-79-7 Chemical Name: 1-phenyl-acetone; Phenylacetone Linear Structure Formula: OC(CH3)(CH2C6H5) Molecular Formula: C9H10O Molecular Weight: 134.178 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-UHFFFAOYSA-N Note:

Substance Label (146) Label References 1a

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3; 4a

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PhCH2COMe

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s-1

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3; BMK

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S11

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15e

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Substrate,Tab.1, run 15

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Ph-CH2COCH3

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2, c,m

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Li, Li; Chen, Hongbiao; Lin, Yuanbin; Synthetic Communications; vol. 37; nb. 6; (2007); p. 985 - 991, View in Reaxys

Murru, Siva; Kavala, Veerababurao; Singh; Patel, Bhisma K.; Tetrahedron Letters; vol. 48; nb. 6; (2007); p. 1007 - 1011, View in Reaxys; Yoshida, Suguru; Yorimitsu, Hideki; Oshima, Koichiro; Synlett; nb. 10; (2007); p. 1622 - 1624, View in Reaxys

Jozwiak, Krzysztof; Khalid, Chakir; Tanga, Mary J.; Berzetei-Gurske, Ilona; Jimenez, Lucita; Kozocas, Joseph A.; Woo, Anthony; Zhu, Weizhong; Xiao, Rui-Ping; Abernethy, Darrell R.; Wainer, Irving W.; Journal of Medicinal Chemistry; vol. 50; nb. 12; (2007); p. 2903 - 2915, View in Reaxys

1c'

Hajipour; Pourmousavi; Ruoho; Organic Preparations and Procedures International; vol. 39; nb. 4; (2007); p. 403 - 412, View in Reaxys

13d

Battace, Ahmed; Feuerstein, Marie; Lemhadri, Mhamed; Zair, Touriya; Doucet, Henri; Santelli, Maurice; European Journal of Organic Chemistry; nb. 19; (2007); p. 3122 - 3132, View in Reaxys

substrate, tab 3/10

Khan, Noor-ul H.; Agrawal, Santosh; Kureshy, Rukhsana I.; Abdi, Sayed H.R.; Singh, Surendra; Jasra, Raksh V.; Journal of Organometallic Chemistry; vol. 692; nb. 20; (2007); p. 4361 - 4366, View in Reaxys

Jung, Hyun M.; Koh, Jeong H.; Kim, Mahn-Joo; Park, Jaiwook; Organic Letters; vol. 2; nb. 3; (2000); p. 409 - 411, View in Reaxys; Concellon, Jose M.; Concellon, Carmen; Diaz, Pamela; European Journal of Organic Chemistry; nb. 9; (2006); p. 2197 - 2200, View in Reaxys; Shimkin, Alexey A.; Mailian, Arthur K.; Shirinian, Valerii Z.; Krayushkin, Mikhail M.; Synthesis; nb. 17; (2007); p. 2706 - 2710, View in Reaxys

Huang, Xian; Sheng, Shou-Ri; Tetrahedron Letters; vol. 42; nb. 51; (2001); p. 9035 - 9037, View in Reaxys; Zhang, Li; Zheng, Xiu-Fang; Linn, Gregory; Zhao, Kang; Synlett; nb. 3; (2007); p. 374 - 380, View in Reaxys; Musa, Musa M.; Ziegelmann-Fjeld, Karla I.; Vieille, Claire; Zeikus, J. Gregory; Phillips, Robert S.; Angewandte Chemie - International Edition; vol. 46; nb. 17; (2007); p. 3091 - 3094, View in Reaxys

Denmark, Scott E.; Ahmad, Moballigh; Journal of Organic Chemistry; vol. 72; nb. 25; (2007); p. 9630 - 9634, View in Reaxys

Gruber, Christian C.; Nestl, Bettina M.; Gross, Johannes; Hildebrandt, Petra; Bornscheuer, Uwe T.; Faber, Kurt; Kroutil, Wolfgang; Chemistry - A European Journal; vol. 13; nb. 29; (2007); p. 8271 - 8276, View in Reaxys

Tokunaga, Makoto; Wakatsuki, Yasuo; Angewandte Chemie - International Edition; vol. 37; nb. 20; (1998); p. 2867 - 2869, View in Reaxys; Krasovskiy, Arkady; Kopp, Felix; Knochel, Paul; Angewandte Chemie International Edition; vol. 45; nb. 3; (2006); p. 497 - 500, View in Reaxys

Tillack, Annegret; Garcia Castro, Ivette; Hartung, Christian G.; Beller, Matthias; Angewandte Chemie International Edition; vol. 41; nb. 14; (2002); p. 2541 - 2543, View in Reaxys; Hirabayashi, Tomotaka; Okimoto, Yoshio; Saito, Akiyo; Morita, Masao; Sakaguchi, Satoshi; Ishii, Yasutaka; Tetrahedron; vol. 62; nb. 10; (2006); p. 2231 - 2234, View in Reaxys

S13

Hawkins, Michael J.; Powell, Eugene T.; Leo, Gregory C.; Gauthier, Diane A.; Greco, Michael N.; Maryanoff, Bruce; Organic Letters; vol. 8; nb. 16; (2006); p. 3429 - 3431, View in Reaxys

ketone, entry 9

Zoute, Ludivine; Lacombe, Celine; Quirion, Jean-Charles; Charette, Andre B.; Jubault, Philippe; Tetrahedron Letters; vol. 47; nb. 45; (2006); p. 7931 - 7933, View in Reaxys

Table 2, entry 13

Mitsudome, Takato; Umetani, Takuya; Nosaka, Naoya; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Angewandte Chemie - International Edition; vol. 45; nb. 3; (2006); p. 481 - 485, View in Reaxys

He, Zhi; Yudin, Andrei K.; Organic Letters; vol. 8; nb. 25; (2006); p. 5829 - 5832, View in Reaxys

C6H5CH2COCH3 Khosropour, Ahmad R.; Khodaei, Mohammad M.; Ghaderi, Sattar; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 61; nb. 3; (2006); p. 326 - 330, View in Reaxys 5a

Choi, Han Young; Chi, Dae Yoon; Organic Letters; vol. 5; nb. 4; (2003); p. 411 - 414, View in Reaxys; Verniest, Guido; De Kimpe, Norbert; Synlett; nb. 13; (2003); p. 2013 - 2016, View in Reaxys; Baumann, Thomas; Bachle, Michael; Brase, Stefan; Organic Letters; vol. 8; nb. 17; (2006); p. 3797 - 3800, View in Reaxys

Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 - 942, View in Reaxys; Kazemi; Kiasat; Synthetic Communications; vol. 32; nb. 14; (2002); p. 2255 2260, View in Reaxys; Das, Deba D.; Nayak, Amalendu; Nanda, Bhagabat; Das, Nalin B.; Journal of Chemical Research; nb. 8; (2006); p. 481 - 482, View in Reaxys

4a and 4b

Armellin, Silvia; Brenna, Elisabetta; Frigoli, Samuele; Fronza, Giovanni; Fuganti, Claudio; Mussida, Daniele; Analytical Chemistry; vol. 78; nb. 9; (2006); p. 3113 - 3117, View in Reaxys

Suda, Kohji; Baba, Kenji; Nakajima, Shin-ichiro; Takanami, Toshikatsu; Tetrahedron Letters; vol. 40; nb. 40; (1999); p. 7243 - 7246, View in Reaxys; Hamamoto, Hiromi; Suzuki, Yachiyo; Yamada, Yoichi M. A.;

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Tabata, Hidetsugu; Takahashi, Hideyo; Ikegami, Shiro; Angewandte Chemie - International Edition; vol. 44; nb. 29; (2005); p. 4536 - 4538, View in Reaxys tab1, col2, entry6

Hunsen, Mo; Tetrahedron Letters; vol. 46; nb. 10; (2005); p. 1651 - 1653, View in Reaxys

PhCH2C(O)CH3

Bright, Zack R.; Luyeye, Cedric R.; Morton, Angela Ste. Marie; Sedenko, Marina; Landolt, Robert G.; Bronzi, Matthew J.; Bohovic, Katherine M.; Gonser, M. W. Alex; Lapainis, Theodore E.; Hendrickson, William H.; Journal of Organic Chemistry; vol. 70; nb. 2; (2005); p. 684 - 687, View in Reaxys

6/Tab.1.run8

Hamilakis, Stylianos; Tsolomitis, Athanase; Heterocyclic Communications; vol. 11; nb. 2; (2005); p. 149 152, View in Reaxys

subs., Tab. 1, entry 15

Van Der Veken, Pieter; El Sayed, Ibrahim; Joossens, Jurgen; Stevens, Christian V.; Augustyns, Koen; Haemers, Achiel; Synthesis; nb. 4; (2005); p. 634 - 638; Art.No: Z18004SS, View in Reaxys

educt to 4

Balog, Mirela; Ramondenc, Yvan; Oprean, Ioan; Grosu, Ion; Ple, Gerard; Heterocyclic Communications; vol. 11; nb. 5; (2005); p. 389 - 394, View in Reaxys

Tab. 1, entry 11

Mu, Ruizhu; Liu, Zhongquan; Yang, Zhanjun; Liu, Zhengang; Wu, Longmin; Liu, Zhong-Li; Advanced Synthesis and Catalysis; vol. 347; nb. 10; (2005); p. 1333 - 1336, View in Reaxys

Ali, Mohammed Hashmat; Gomes, Maria Goretti; Synthesis; nb. 8; (2005); p. 1326 - 1332; Art.No: M05004SS, View in Reaxys

Tab. 1, entry 18

Mohanazadeh, Farajollah; Hosini, Mostafa; Tajbakhsh, Mahmoud; Monatshefte fur Chemie; vol. 136; nb. 12; (2005); p. 2041 - 2043, View in Reaxys

11d

Dohi, Toshifumi; Maruyama, Akinobu; Yoshimura, Misaki; Morimoto, Koji; Tohma, Hirofumi; Shiro, Motoo; Kita, Yasuyuki; Chemical Communications; nb. 17; (2005); p. 2205 - 2207, View in Reaxys

Ph-CH2-CO-CH3

Calderone, Vincenzo; Giorgi, Irene; Livi, Oreste; Martinotti, Enrica; Martelli, Alma; Nardi, Antonio; Farmaco; vol. 60; nb. 5; (2005); p. 367 - 375, View in Reaxys

Tab. 1, entry 1, prod.

Hunsen, Mo; Journal of Fluorine Chemistry; vol. 126; nb. 9-10; (2005); p. 1356 - 1360, View in Reaxys

Pohlki, Frauke; Bytschkov, Igor; Siebeneicher, Holger; Heutling, Andreas; Koenig, Wilfried A.; Doye, Sven; European Journal of Organic Chemistry; nb. 9; (2004); p. 1967 - 1972, View in Reaxys

product T.1 r.1

Justik, Michael W.; Koser, Gerald F.; Tetrahedron Letters; vol. 45; nb. 32; (2004); p. 6159 - 6163, View in Reaxys

Table I, entry 7

Kiasat, Ali Reza; Kazemi, Foad; Nourbakhsh, Kazem; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 179; nb. 6; (2004); p. 1193 - 1196, View in Reaxys

tab. 1, entry 11,ke- Pan, Zhen-Liang; Liu, Xue-Yuan; Liang, Yong-Min; Tetrahedron Letters; vol. 45; nb. 21; (2004); p. 4101 tone 4104, View in Reaxys educt to 5

Tocco, Graziella; Begala, Michela; Delogu, Giovanna; Picciau, Carmen; Podda, Gianni; Tetrahedron Letters; vol. 45; nb. 37; (2004); p. 6909 - 6913, View in Reaxys

Linder, Sorana; White, Katherine; Palmer, Mandelin; Arney, Benny; White, Rick; Tetrahedron Letters; vol. 43; nb. 7; (2002); p. 1169 - 1170, View in Reaxys; Lo, H. Christine; Fish, Richard H.; Angewandte Chemie - International Edition; vol. 41; nb. 3; (2002); p. 478 - 481, View in Reaxys; Rodrigues, J. Augusto R.; SiqueiraFilho, Ezequias P.; De Mancilha, Moacir; Moran, Paulo J. S.; Synthetic Communications; vol. 33; nb. 2; (2003); p. 331 - 340, View in Reaxys

starting to 1

Balasubrahmanyam; Kulkarni; Gopalan; Kumar; Hiremath; Journal of Molecular Structure; vol. 645; nb. 2-3; (2003); p. 159 - 169, View in Reaxys

Liu, Yu-Xiu; Xu, Cheng-Fu; Liu, Lun-Zu; Synthesis; nb. 9; (2003); p. 1335 - 1338, View in Reaxys

T., product, run 10 Xu, Liang; Trudell, Mark L.; Tetrahedron Letters; vol. 44; nb. 12; (2003); p. 2553 - 2555, View in Reaxys 66

Liu, Xiangli; Bouchard, Geraldine; Mueller, Nathalie; Galland, Alexandra; Girault, Hubert; Testa, Bernard; Carrupt, Pierre-Alain; Helvetica Chimica Acta; vol. 86; nb. 11; (2003); p. 3533 - 3547, View in Reaxys

Johnson II, David C.; Widlanski, Theodore S.; Journal of Organic Chemistry; vol. 68; nb. 13; (2003); p. 5300 - 5309, View in Reaxys

Tab. 1, product, run 8

Shirini, Farhad; Zolfigol, Mohammad A.; Abedini, Masoumeh; Salehi, Peyman; Mendeleev Communications; vol. 13; nb. 6; (2003); p. 265 - 267, View in Reaxys

Table 4, entry 8

Khedkar, Vivek; Tillack, Annegret; Beller, Matthias; Organic Letters; vol. 5; nb. 25; (2003); p. 4767 - 4770, View in Reaxys

P2P

Scott; Janusz; Perkins; Megharaj; Naidu; Kirkbride; Bulletin of Environmental Contamination and Toxicology; vol. 70; nb. 4; (2003); p. 824 - 831, View in Reaxys

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2016-03-05 02:04:53

39a

Stampfer, Wolfgang; Kosjek, Birgit; Faber, Kurt; Kroutil, Wolfgang; Journal of Organic Chemistry; vol. 68; nb. 2; (2003); p. 402 - 406, View in Reaxys

PhCH2COCH3

Concellon, Jose M.; Bernad, Pablo L.; Huerta, Monica; Garcia-Granda, Santiago; Rosario Diaz; Chemistry - A European Journal; vol. 9; nb. 21; (2003); p. 5343 - 5347, View in Reaxys

Katritzky, Alan R.; Cui, Xilin; Long, Qiuhe; Yang, Baozhen; Wilcox, Allan L.; Zhang, Yong-Kang; Organic Preparations and Procedures International; vol. 32; nb. 2; (2000); p. 175 - 183, View in Reaxys; Nishizawa, Mugio; Skwarczynski, Mariusz; Imagawa, Hiroshi; Sugihara, Takumichi; Chemistry Letters; nb. 1; (2002); p. 12 - 13, View in Reaxys

PhCH2-CO-Me

Firouzabadi; Iranpoor; Amani; Synthesis; nb. 1; (2002); p. 59 - 62, View in Reaxys

50b

Matsuo, Jun-Ichi; Iida, Daisuke; Tatani, Kazuya; Mukaiyama, Teruaki; Bulletin of the Chemical Society of Japan; vol. 75; nb. 2; (2002); p. 223 - 234, View in Reaxys

substrate d

Dahlen, Anders; Hilmersson, Goeran; Tetrahedron Letters; vol. 43; nb. 40; (2002); p. 7197 - 7200, View in Reaxys

tab, run9 product

Mamaghani; Shirini; Parsa; Russian Journal of Organic Chemistry; vol. 38; nb. 8; (2002); p. 1113 - 1115, View in Reaxys

Product, Tab.2, run 5

Yokota, Takahiro; Sakakura, Aki; Tani, Masayuki; Sakaguchi, Satoshi; Ishii, Yasutaka; Tetrahedron Letters; vol. 43; nb. 49; (2002); p. 8887 - 8891, View in Reaxys

Ogibin; Ilovaiskii; Merkulova; Terent'ev; Nikishin; Russian Chemical Bulletin; vol. 51; nb. 8; (2002); p. 1460 - 1465, View in Reaxys

product, tab 1, run Salehi; Khodaei; Goodarzi; Russian Journal of Organic Chemistry; vol. 38; nb. 11; (2002); p. 1671 - 1673, 5 View in Reaxys 7a

Chandrasekhar; Raji Reddy, Ch.; Nagendra Babu; Journal of Organic Chemistry; vol. 67; nb. 25; (2002); p. 9080 - 9082, View in Reaxys

Tab.1

Shoichi, Shimizu; Suzuki, Takashi; Shirakawa, Seiji; Sasaki, Yasuyuki; Hirai, Choichiro; Advanced Synthesis and Catalysis; vol. 344; nb. 3-4; (2002); p. 370 - 378, View in Reaxys

Haak, Edgar; Bytschkov, Igor; Doye, Sven; Angewandte Chemie - International Edition; vol. 38; nb. 22; (1999); p. 3389 - 3391, View in Reaxys; Shimada, Tomohiro; Yamamoto, Yoshinori; Journal of the American Chemical Society; vol. 124; nb. 43; (2002); p. 12670 - 12671, View in Reaxys

MeCOCH2Ph

Youn; Park; Kim; Chemical Communications; nb. 20; (2000); p. 2005 - 2006, View in Reaxys; Morrison, Brian J.; Musgrave, Oliver C.; Journal of the Chemical Society. Perkin Transactions 1; nb. 17; (2002); p. 1944 - 1947, View in Reaxys

ketone for 1n

Concellon, Jose M.; Bardales, Eva; Organic Letters; vol. 4; nb. 2; (2002); p. 189 - 191, View in Reaxys

CH3COCH2Ph

Alnajjar, Mikhail S.; Zhang, Xian-Man; Gleicher, Gerald J.; Truksa, Scott V.; Franz, James A.; Journal of Organic Chemistry; vol. 67; nb. 25; (2002); p. 9016 - 9022, View in Reaxys

Tab. 2

Kogan, Vladimir; Aizenshtat, Zeev; Neumann, Ronny; New Journal of Chemistry; vol. 26; nb. 3; (2002); p. 272 - 274, View in Reaxys

Ishino, Yoshio; Kita, Yoshio; Maekawa, Hirofumi; Ohno, Toshinobu; Yamasaki, Yasuhiro; Miyata, Toshiyuki; Nishiguchi, Ikuzo; Tetrahedron Letters; vol. 40; nb. 7; (1999); p. 1349 - 1352, View in Reaxys; Concellon, Jose M; Cuervo, Humildad; Fernandez-Fano, Ramon; Tetrahedron; vol. 57; nb. 43; (2001); p. 8983 - 8987, View in Reaxys

Product T2 entry 9 Matsuo, Jun-Ichi; Kitagawa, Hideo; Iida, Daisuke; Mukaiyama, Teruaki; Chemistry Letters; nb. 2; (2001); p. 150 - 151, View in Reaxys BnCOMe

Cooper; Lucas; Taylor; Ward; Williamson; Synthesis; nb. 4; (2001); p. 621 - 625, View in Reaxys

product of 6-d0

Angelis, Yiannis S.; Hatzakis, Nikos S.; Smonou, Ioulia; Orfanopoulos, Michael; Tetrahedron Letters; vol. 42; nb. 22; (2001); p. 3753 - 3756, View in Reaxys

11: R1=H, R2=CH3

Wilamowski, Jarosaw; Kulig, Ewa; Sepio, Janusz J.; Burgie, Zbigniew J.; Pest Management Science; vol. 57; nb. 7; (2001); p. 625 - 632, View in Reaxys

Khajavi; Mohammadi; Sadat Hosseini; Synthetic Communications; vol. 31; nb. 23; (2001); p. 3647 - 3652, View in Reaxys

1, R1=PhCH2, R=Me

Ballini; Bosica; Maggi; Mazzacani; Righi; Sartori; Synthesis; nb. 12; (2001); p. 1826 - 1829, View in Reaxys

Tab.1, entry 3/4

Bhatia, Kaushik A.; Eash, Kyle J.; Leonard, Nicholas M.; Oswald, Matthew C.; Mohan, Ram S.; Tetrahedron Letters; vol. 42; nb. 46; (2001); p. 8129 - 8132, View in Reaxys

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17b

Gaunt; Yu; Spencer; Chemical Communications; nb. 18; (2001); p. 1844 - 1845, View in Reaxys

Talukdar; Fang; Journal of Organic Chemistry; vol. 66; nb. 1; (2001); p. 330 - 333, View in Reaxys

table 2

Allan; Carnell; Journal of Organic Chemistry; vol. 66; nb. 19; (2001); p. 6495 - 6497, View in Reaxys

4Ha

Matsuda, Tomoko; Harada, Tadao; Nakajima, Nobuyoshi; Itoh, Toshiyuki; Nakamura, Kaoru; Journal of Organic Chemistry; vol. 65; nb. 1; (2000); p. 157 - 163, View in Reaxys

2, R1 = Ph

Hayes; Shipman; Twin; Chemical Communications; nb. 18; (2000); p. 1791 - 1792, View in Reaxys

product, entry 2

Bezbarua, Maitreyee S.; Bez, Ghanashyam; Barua, Nabin C.; Chemistry Letters; nb. 4; (1999); p. 325 - 326, View in Reaxys

XVII

Yusubov; Perederina; Kulmanakova; Filimonov; Chi, Ki-Whan; Russian Journal of Organic Chemistry; vol. 35; nb. 9; (1999); p. 1264 - 1272, View in Reaxys

Table 1, Entry 14

Mohammadpoor-Baltork, Iraj; Hajipour, Abdol Reza; Mohammadi, Hasan; Bulletin of the Chemical Society of Japan; vol. 71; nb. 7; (1998); p. 1649 - 1653, View in Reaxys

entry 11 (product) Ranu, Brindaban C.; Jana, Umasish; Journal of Organic Chemistry; vol. 63; nb. 23; (1998); p. 8212 - 8216, View in Reaxys 21a

Nakamura; Matsuda; Journal of Organic Chemistry; vol. 63; nb. 24; (1998); p. 8957 - 8964, View in Reaxys

Patent-Specific Data (6) Prophetic ComLocation in Patent References pound Patent; SUMITOMO CHEMICAL COMPANY, LIMITED; NAKAE, Yasuyuki; MANABE, Akio; MIYAMOTO, Takashi; WO2014/129612; (2014); (A1) English, View in Reaxys Page/Page column

Patent; Nimbus Apollo, Inc.; Harriman, Geraldine C.; Masse, Craig E.; Harwood, James; Bhat, Sathesh; Greenwood, Jeremy Robert; US2013/123231; (2013); (A1) English, View in Reaxys Patent; FIRMENICH SA; Santoro, Francesco; Saudan, Lionel; Saudan, Christophe; US2013/274487; (2013); (A1) English, View in Reaxys Patent; FIRMENICH SA; SANTORO, Francesco; SAUDAN, Lionel; SAUDAN, Michel, Alfred, Joseph; SAUDAN, Sylvia, Joyeuse, Adelaide; WO2012/84810; (2012); (A1) English, View in Reaxys

prophetic product

Patent; Schering Corporation; US4376769; (1983); (A1) English, View in Reaxys; Patent; Hoechst Aktiengesellschaft; US4266066; (1981); (A1) English, View in Reaxys; Patent; Givaudan Roure ( International ) SA; US6258854; (2001); (B1) English, View in Reaxys; Patent; BASF Aktiengesellschaft; US5008461; (1991); (A1) English, View in Reaxys Claim

Patent; Emery Industries, Inc.; US4252739; (1981); (A1) English, View in Reaxys; Patent; Emery Industries, Inc.; US4328168; (1982); (A1) English, View in Reaxys; Patent; Emery Industries, Inc.; US4328169; (1982); (A1) English, View in Reaxys

Related Structure (2) Related Structure Referenced Com- References pound The tautomers given are discussed.

enol of phenyl acetone

Enol-Gehalt von unverduenntem Phenylaceton.

Ooi, Takashi; Otsuka, Hidehito; Miura, Tomoya; Ichikawa, Hayato; Maruoka, Keiji; Organic Letters; vol. 4; nb. 16; (2002); p. 2669 - 2672, View in Reaxys Gero; Journal of Organic Chemistry; vol. 19; (1954); p. 1960,1962, View in Reaxys

Derivative (41) Comment (Deriva- Derivative tive)

References

C15H13N3O4

Tandon, Praveen K.; Srivastava, Manish; Singh, Santosh B.; Singh, Satpal; Synthetic Communications; vol. 38; nb. 13; (2008); p. 2125 - 2137, View in Reaxys

3-phenylpropan-2-one 2,4-dinitrophenylhydrazone

Yusubov; Zholobova; Filimonova; Chi, Ki-Whan; Russian Chemical Bulletin; vol. 53; nb. 8; (2004); p. 1735 - 1742, View in Reaxys

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2016-03-05 02:04:53

benzyl methylke- Ryckmans, Thomas; Viehe, Heinz-Gunter; Feneau-Dupont, Janine; Tinant, Bernard; tone N-cyano-NDeclercq, Jean-Paul; Tetrahedron; vol. 53; nb. 5; (1997); p. 1729 - 1734, methylhydrazone; View in Reaxys benzyl methylketone N-cyano-Nmethylhydrazone oxime de la 1-phe- Hanquet, Gilles; Lusinchi, Xavier; Tetrahedron; vol. 50; nb. 42; (1994); p. 12185 - 12200, nyl-2-propanone View in Reaxys (trans); oxime de la 1-phenyl-2propanone (cis) 3-phenylpropan-2-one 2,4-dinitrophenylhydrazone By formation of compound with 2,4-dinitrophenylhydrazone

Ohwada, Tomohiko; Okabe, Kazuaki; Ohta, Toshiharu; Shudo, Koichi; Tetrahedron; vol. 46; nb. 21; (1990); p. 7539 - 7555, View in Reaxys

Syper, Ludwik; Tetrahedron; vol. 43; nb. 12; (1987); p. 2853 - 2872, View in Reaxys

1-phenylpropan-2-one oxime

Mezheritskaya, L. V.; Matsovskaya, E. S.; Dorofeenko, G. N.; Journal of Organic Chemistry USSR (English Translation); vol. 16; (1980); p. 174 - 178; Zhurnal Organicheskoi Khimii; vol. 16; nb. 1; (1980); p. 183 - 188, View in Reaxys

Na-Salz: Rk. mit 2-Iodbutan: Produktverteilg., ΔΔG(excit.)

Bartsch et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 4105,4106,4107, View in Reaxys

Semicarb. : F: 196-197grad

Zielinski,W.; Polish Journal of Chemistry; vol. 52; (1978); p. 2233 - 2241, View in Reaxys

Ketal (Ethylen): Kp(15): 115grad

Bauduin et al.; Tetrahedron; vol. 34; (1978); p. 3269,3274, View in Reaxys

2,4-Dinitrophenylhydrazon, F: 152-154grad, S. 1697

Bubb,W.A.; Sternhell,S.; Australian Journal of Chemistry; vol. 29; (1976); p. 1685 - 1697, View in Reaxys

Semicarbazon: F: 198-199grad

Dorofeenko et al.; Zhurnal Organicheskoi Khimii; vol. 11; (1975); p. 2424,2476,2478, View in Reaxys

Komplex mit (NC)2C=C(CN)2: UV (Tab. 2)

Cornish; Eaborn; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 874, View in Reaxys

2,4-Dinitrophenylhydrazon: F: 152.5-155grad

Pasynkiewicz et al.; Justus Liebigs Annalen der Chemie; (1975); p. 636,640, View in Reaxys

2,4-Dinitrophenylhydrazon: F: 151grad

Hegedus,L.S.; Stiverson,R.K.; Journal of the American Chemical Society; vol. 96; (1974); p. 3250 - 3254, View in Reaxys

Phenylhydrazon: F: 149-151grad

Fedoronko; Jezo; Collection of Czechoslovak Chemical Communications; vol. 37; (1972); p. 1781,1782-1793, View in Reaxys

2.4-Dinitrophenylhydrazon: F: 149-151grad

Fedoronko,M.; Collection of Czechoslovak Chemical Communications; vol. 37; (1972); p. 3897 - 3901, View in Reaxys

Semicarbazon: F.: 181.5-182.5grad

Dran et al.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 272; (1971); p. 1664, View in Reaxys

2,4-Dinitrophenylhydrazon v. F: 156grad

Barabas; Balaban; Tetrahedron; vol. 27; (1971); p. 5495,5502, View in Reaxys

Semicarbazon: F: 197-198grad

Patent; Tisso; JP9892; (1969); Ref. Zh., Khim.; vol. 12; nb. N267P; (1970), View in Reaxys

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2016-03-05 02:04:53

*BF3. IR, 1H-, 19F-NMR

Gates; Mooney; Journal of Inorganic and Nuclear Chemistry; vol. 30; (1968); p. 839,842,844-846, View in Reaxys

anti-Oxim: F: 62-63grad

Kotera,K. et al.; Tetrahedron; vol. 24; (1968); p. 5677 - 5690, View in Reaxys

Semicarbazon: F : 190-191grad

Patent; Wallace and Tiernan; GB1065684; (1967); Chem.Abstr.; vol. 67; nb. 54139; (1967), View in Reaxys

Semicarbazon: F: 197 - 198grad

Unterhalt; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 299; (1966); p. 608,611, View in Reaxys

Semicarbazon: F: 184-185grad

Goszczynski; Zeszyty Naukowe Politechniki Slaskiej, Chemia; vol. 25; (1964); p. 1,21,93; Chem.Abstr.; vol. 63; nb. 4253, View in Reaxys

Semicarbazon: F: 196grad (wss. A.)

Colonge et al.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 259; (1964); p. 3566, View in Reaxys

Semicarbazon: F: 188 - 189grad

Angeloni; Pappalardo; Annali di Chimica (Rome, Italy); vol. 53; (1963); p. 641,645,647, View in Reaxys

2,4-Dinitrophenylhydrazon: F: 150 151grad (A.)

Truce; Norell; Journal of the American Chemical Society; vol. 85; (1963); p. 3236, View in Reaxys

Rk. des K-Enolats m. CH3I in 1,2-Dimethoxyethan -> 2-Phenyl-butan-3on (15)

House,H.O.; Kramar,V.; Journal of Organic Chemistry; vol. 28; (1963); p. 3362 - 3379, View in Reaxys

3-Methyl-chinoxalin-hydrazon-(2): C18H18N4: B: 2Hydrazino-3methyl-chinoxalin, Methyl-benzylketon, Me. (Raumtemp., 24 h); F: 127grad (unkorr.) (Me.)

Shiho,D.; Tagami,S.; Journal of the American Chemical Society; vol. 82; (1960); p. 4044 - 4054, View in Reaxys

as 2-diphenylacetyl-3-oxo-indan-1ylidenehydrazone (mp: 191.5-192.5 degree )

Braun; Mosher; Journal of the American Chemical Society; vol. 80; (1958); p. 3048, View in Reaxys

as 2,4-dinitro-phenylhydrazone (mp: 154-155 degree )

Johnson; Journal of the American Chemical Society; vol. 75; (1953); p. 2720,2721; Journal of the American Chemical Society; vol. 73; (1951); p. 5888, View in Reaxys

2.4-dinitro-phenylhydrazone (mp: 155.5-156.5 degree )

McPhee; Klingsberg; Journal of the American Chemical Society; vol. 66; (1944); p. 1132,1134; Org. Synth. Coll. Vol.; vol. III; (1955); p. 119, View in Reaxys

phenylhydrazone (mp: 84,5-85 degree )

Hurd; Thomas; Journal of the American Chemical Society; vol. 58; (1936); p. 1240, View in Reaxys

4-thiocyanatophenylhydrazone (mp: 118-119 degree )

Horii; Kinouchi; Yakugaku Zasshi; vol. 56; (1936); p. 690,696; dtsch. Ref. S. 163, 166; Chem. Zentralbl.; vol. 108; nb. I; (1937); p. 2584, View in Reaxys

semicarbazone (mp: 190 degree )

Tiffeneau; Cahnmann; Bulletin de la Societe Chimique de France; vol. <5> 2; (1935); p. 1876,1881, 1882, View in Reaxys

semicarbazone (mp: 199-199.5 degree )

Tiffeneau; Cahnmann; Bulletin de la Societe Chimique de France; vol. <5> 2; (1935); p. 1876,1881, 1882, View in Reaxys

11/100

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semicarbazone (mp: 191-192 degree )

Bruzau; Annales de Chimie (Cachan, France); vol. <11> 1; (1934); p. 257,276, View in Reaxys; Ramart-Lucas; Bruzau; Bulletin de la Societe Chimique de France; vol. <5> 1; (1934); p. 119,136, View in Reaxys

semicarbazone (mp: 197-198 degree )

4-nitro-phenylhydrazone (mp: 143 degree )

Baker; Hey; Journal of the Chemical Society; (1932); p. 2917,2920, 2922, View in Reaxys

phenylhydrazone (mp: 83 degree )

Trenkler; Justus Liebigs Annalen der Chemie; vol. 248; (1888); p. 106, View in Reaxys; Senderens; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 313, View in Reaxys; Senderens; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 150; (1910); p. 1337; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 654, View in Reaxys

Melting Point (3) 1 of 3

Melting Point [°C]

-15

Nicholson et al.; Journal of the Chemical Society; (1954); p. 2767, View in Reaxys 2 of 3

Melting Point [°C]

-15.4

Timmermans; Bulletin des Societes Chimiques Belges; vol. 31; (1922); p. 390; Bulletin des Societes Chimiques Belges; vol. 36; (1927); p. 505; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 1137, View in Reaxys 3 of 3

Melting Point [°C]

Kolb; Justus Liebigs Annalen der Chemie; vol. 291; (1896); p. 267, View in Reaxys Boiling Point (88) Boiling Point [°C] Pressure (Boiling Point) [Torr]

References

209 - 211

760

Hamilakis, Stylianos; Tsolomitis, Athanase; Heterocyclic Communications; vol. 11; nb. 2; (2005); p. 149 - 152, View in Reaxys

100

Li, Yanjun; Izumi, Taeko; Journal of the Chinese Chemical Society (Taipei, Taiwan); vol. 49; nb. 4; (2002); p. 505 - 508, View in Reaxys

110

Ellames, George J; Gibson, Jennifer S; Herbert, John M; McNeill, Alan H; Tetrahedron; vol. 57; nb. 46; (2001); p. 9487 - 9497, View in Reaxys

83 - 84

Yu, Yongping; Zhang, Yongmin; Synthetic Communications; vol. 29; nb. 2; (1999); p. 243 - 247, View in Reaxys

216

Bezbarua, Maitreyee S.; Bez, Ghanashyam; Barua, Nabin C.; Chemistry Letters; nb. 4; (1999); p. 325 - 326, View in Reaxys

140

Arisawa; Torisawa; Nakagawa; Synthesis; nb. 11; (1995); p. 1371 - 1372, View in Reaxys

109.8 - 110.8

Hiegel; Nalbandy; Synthetic Communications; vol. 22; nb. 11; (1992); p. 1589 - 1595, View in Reaxys

107 - 109

Katritzky, Alan R.; Yang, Zhijun; Lam, Jamshed N.; Journal of Organic Chemistry; vol. 56; nb. 24; (1991); p. 6917 - 6923, View in Reaxys

101

Syper, Ludwik; Tetrahedron; vol. 43; nb. 12; (1987); p. 2853 - 2872, View in Reaxys

77.5

Sera, Akira; Fukumoto, Shoji; Yoneda, Takako; Yamada, Hiroaki; Heterocycles; vol. 24; nb. 3; (1986); p. 697 - 702, View in Reaxys

Moriarty, Robert M.; Khosrowshahi, Jaffar S.; Prakash, Om; Tetrahedron Letters; vol. 26; nb. 25; (1985); p. 2961 - 2964, View in Reaxys

95 - 96

Inaba, Shin-ichi; Rieke, Reuben D.; Tetrahedron Letters; vol. 24; nb. 24; (1983); p. 2451 - 2452, View in Reaxys; Inaba, Shin-ichi; Rieke, Reuben D.; Journal of Organic Chemistry; vol. 50; nb. 9; (1985); p. 1373 - 1381, View in Reaxys

15.001

Kuchar; Brunova; Rejholec; et al.; Collection of Czechoslovak Chemical Communications; vol. 49; nb. 1; (1984); p. 122 - 136, View in Reaxys

88 - 92

Kosugi, Masanori; Hagiwara, Isao; Sumiya, Takao; Migita, Toshihiko; Bulletin of the Chemical Society of Japan; vol. 57; nb. 1; (1984); p. 241 - 246, View in Reaxys; Kosugi,

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Masanori; Hagiwara, Isao; Sumiya, Takashi; Migita, Toshihiko; Journal of the Chemical Society, Chemical Communications; nb. 7; (1983); p. 344 - 345, View in Reaxys 207 - 208

660

Kuroyan, R. A.; Markosyan, A. I.; Engoyan, A. P.; Vartanyan, S. A.; Journal of Organic Chemistry USSR (English Translation); vol. 19; (1983); p. 1709 - 1714; Zhurnal Organicheskoi Khimii; vol. 19; nb. 9; (1983); p. 1947 - 1953, View in Reaxys

88 - 92

Kosugi, Masanori; Suzuki, Mikio; Hagiwara, Isao; Goto, Katsuhisa; Saitoh, Kyoko; et al.; Chemistry Letters; (1982); p. 939 - 940, View in Reaxys

Celerier, Jean-Pierre; Deloisy, Elisabeth; Kapron, Pierre; Lhommet, Gerard; Maitte, Pierre; Synthesis; nb. 2; (1981); p. 130 - 133, View in Reaxys

Colau,R.; Viel,C.; Bulletin de la Societe Chimique de France; vol. <II>; (1979); p. 362 365, View in Reaxys

105 - 111

Goszczynski,S. et al.; Polish Journal of Chemistry; vol. 53; (1979); p. 849 - 853, View in Reaxys

51 - 60

Rao et al.; Journal of Organometallic Chemistry; vol. 166; (1979); p. 9,10, 12, 15, View in Reaxys

60 - 86

Rao et al.; Journal of Organometallic Chemistry; vol. 166; (1979); p. 9,10, 12, 15, View in Reaxys

Patent; ANVAR; FR2354310; (1978); Chem.Abstr.; vol. 89; nb. 146428, View in Reaxys

102 - 103

Zielinski,W.; Polish Journal of Chemistry; vol. 52; (1978); p. 2233 - 2241, View in Reaxys

Shono,T. et al.; Chemistry Letters; (1977); p. 1021 - 1024, View in Reaxys

100 - 115

Petragnani,N. et al.; Journal of Organometallic Chemistry; vol. 114; (1976); p. 281 - 292, View in Reaxys

109 - 112

Chauhan,S.M.S.; Junjappa,H.; Tetrahedron; vol. 32; (1976); p. 1779 - 1787, View in Reaxys

62 - 63

Shono,T. et al.; Chemistry Letters; (1976); p. 1319 - 1322, View in Reaxys

62 - 63

Ogata; Nagura; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1976); p. 628,629,633, View in Reaxys

214 - 217

Patent; Toryanik et al.; SU450792; (1975); Ref. Zh., Khim.; vol. 6; nb. O46P; (1976), View in Reaxys

101

Dorofeenko et al.; Zhurnal Organicheskoi Khimii; vol. 11; (1975); p. 2424,2476,2478, View in Reaxys

118 - 122

Sekiya,M. et al.; Tetrahedron; vol. 31; (1975); p. 231 - 233, View in Reaxys

113 - 115

Tantsyura et al.; Metody Polucheniya Khimicheskikh Reaktivov i Preparatov; vol. 26; (1974); p. 155,156; Chem.Abstr.; vol. 83; nb. 113854p; Chem. Zentralbl.; Ref.Zh.,Khim. 1975,Abstr.No.4 N 132, View in Reaxys

88 - 90

Jonczyk,A. et al.; Roczniki Chemii; vol. 48; (1974); p. 1713 - 1722, View in Reaxys

100

Bellassoued; Gaudemar; Journal of Organometallic Chemistry; vol. 81; (1974); p. 139,141, View in Reaxys

97 - 98

Zielinski; Goszczynski; Zeszyty Naukowe Politechniki Slaskiej, Chemia; vol. 39; (1967); p. 59,60,64, View in Reaxys; Goszczynski; Zielinski; Zeszyty Naukowe Politechniki Slaskiej, Chemia; vol. 39; (1967); p. 53,54,55,57, View in Reaxys; Goszczynski; Zielinski; Zhurnal Organicheskoi Khimii; vol. 9; (1973); p. 2103,2119,2120, View in Reaxys

212 - 215

Ho,T.-L.; Wong,C.M.; Synthesis; (1972); p. 561, View in Reaxys

113 - 115

Dran et al.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 272; (1971); p. 1664, View in Reaxys

91 - 95

Blair; Tate; Journal of the Chemical Society [Section] C: Organic; (1971); p. 1592, View in Reaxys

Barabas; Balaban; Tetrahedron; vol. 27; (1971); p. 5495,5502, View in Reaxys

13/100

2016-03-05 02:04:53

Barabas; Balaban; Tetrahedron; vol. 27; (1971); p. 5495,5502, View in Reaxys

92 - 93

Jonczyk et al.; Roczniki Chemii; vol. 45; (1971); p. 1027,1033, 1037, View in Reaxys

Adcock,W. et al.; Australian Journal of Chemistry; vol. 23; (1970); p. 1921 - 1937, View in Reaxys

107

Lamm,B.; Samuelsson,B.; Acta Chemica Scandinavica (1947-1973); vol. 24; (1970); p. 561 - 568, View in Reaxys

85 - 86

Biniecki; Herold; Acta poloniae pharmaceutica; vol. 27; nb. 6; (1970); p. 529 - 532, View in Reaxys

74 - 76

Sund; Henze; Journal of Chemical and Engineering Data; vol. 15; (1970); p. 200,201, View in Reaxys

120 - 122

DePuy,C.H. et al.; Journal of Organic Chemistry; vol. 35; (1970); p. 2746 - 2750, View in Reaxys

88 - 89

Nishikawa; Otsu; Kogyo Kagaku Zasshi; vol. 72; (1969); p. 1836; Chem.Abstr.; vol. 72; nb. 32341; (1970), View in Reaxys

71 - 73

Sedova; Mamaev; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 5; (1969); p. 825; Khimiya Geterotsiklicheskikh Soedinenii; vol. 5; (1969); p. 1089, View in Reaxys

74 - 76

Zalesskaja; Lavrova; Zhurnal Organicheskoi Khimii; vol. 5; (1969); p. 454,441, View in Reaxys

98 - 99

Zalesskaja; Lavrova; Zhurnal Organicheskoi Khimii; vol. 5; (1969); p. 454,441, View in Reaxys

96 - 97

Sethi et al.; Canadian Journal of Chemistry; vol. 47; (1969); p. 1083, View in Reaxys

95 - 103

Uemura; Nippon Kagaku Zasshi; vol. 89; (1968); p. 692,694; Chem.Abstr.; vol. 70; nb. 19678u, View in Reaxys

102.5

Kotera,K. et al.; Tetrahedron; vol. 24; (1968); p. 5677 - 5690, View in Reaxys

108 - 109.5

Ogata et al.; Tetrahedron; vol. 24; (1968); p. 1617,1620, View in Reaxys

112 - 116

Yamamoto et al.; Chemical and Pharmaceutical Bulletin; vol. 16; (1968); p. 2313, View in Reaxys

212 - 214

Kupin; Petrov; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 975,937, View in Reaxys

72 - 73

Reinheckel,H.; Tauber,G.; Monatshefte fuer Chemie; vol. 98; (1967); p. 1944 - 1953, View in Reaxys

98 - 100

Rupe; Metzger; Vogler; Helvetica Chimica Acta; vol. 8; (1925); p. 850, View in Reaxys; Unterhalt; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 299; (1966); p. 608,611, View in Reaxys

100

Lee,J.B.; Tetrahedron Letters; nb. 46; (1966); p. 5669 - 5672, View in Reaxys

102 - 104

Patent; Soc. Oril.; FR1457540; (1966); Chem.Abstr.; vol. 67; nb. 90535, View in Reaxys

214 - 215

760

Kupin; Zhurnal Organicheskoi Khimii; vol. 1; (1965); p. 1206,1217, View in Reaxys

89 - 90

Brown et al.; Journal of the American Chemical Society; vol. 87; (1965); p. 1274,1275, View in Reaxys

93 - 94

Goszczynski; Zeszyty Naukowe Politechniki Slaskiej, Chemia; vol. 25; (1964); p. 1,21,93; Chem.Abstr.; vol. 63; nb. 4253, View in Reaxys

Colonge et al.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 259; (1964); p. 3566, View in Reaxys

4.5

Truce; Norell; Journal of the American Chemical Society; vol. 85; (1963); p. 3236, View in Reaxys

Collard-Charon,C.; Renson,M.; Bulletin des Societes Chimiques Belges; vol. 72; (1963); p. 443 - 464, View in Reaxys

0.01

Gault,H. et al.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 254; (1962); p. 2594 - 2596, View in Reaxys

82 - 83

Khromov-Borisov,N.V. et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 32; (1962); p. 3207 - 3211,3152 - 3155, View in Reaxys

14/100

2016-03-05 02:04:53

104 - 106

Weygand,F.; Bestmann,H.J.; Angewandte Chemie; vol. 72; (1960); p. 535 - 554, View in Reaxys; Barbier; Locquin; Bulletin de la Societe Chimique de France; vol. <4> 9; (1911); p. 720, View in Reaxys

Normant; Angelo; Bulletin de la Societe Chimique de France; (1960); p. 357, View in Reaxys

112 - 113

Alberti; Gazzetta Chimica Italiana; vol. 87; (1957); p. 720,724, View in Reaxys

115 - 116

Alberti; Gazzetta Chimica Italiana; vol. 87; (1957); p. 720,724, View in Reaxys

0.2

Hock; Kropf; Chemische Berichte; vol. 91; (1956); p. 1681,1687, View in Reaxys

Freeman; Journal of the American Pharmaceutical Association (1912-1977); vol. 42; (1953); p. 621, View in Reaxys

69 - 71

Kumler et al.; Journal of the American Chemical Society; vol. 72; (1950); p. 1463,1466, View in Reaxys

102.5

Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys

97 - 98.5

Walker; Hauser; Journal of the American Chemical Society; vol. 68; (1946); p. 1386, View in Reaxys

213

760

Biquard; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys

101

Biquard; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys

73 - 74

Gilman; Nelson; Recueil des Travaux Chimiques des Pays-Bas; vol. 55; (1936); p. 518,528, 529; Journal of the American Chemical Society; vol. 61; (1939); p. 741, View in Reaxys

Baker; Hey; Journal of the Chemical Society; (1932); p. 2917,2920, 2922, View in Reaxys

100 - 101

Danilow; Venus-Danilowa; Chemische Berichte; vol. 60; (1927); p. 1062; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 59; (1927); p. 204, View in Reaxys

99.5

v. Auwers; Jordan; Biochemische Zeitschrift; vol. 144; (1924); p. 35,41, View in Reaxys

216.5

755

Senderens; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 313, View in Reaxys; Senderens; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 150; (1910); p. 1337; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 654, View in Reaxys

214 - 215

Fourneau; Tiffeneau; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 141; (1905); p. 662; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 140; (1905); p. 1595, View in Reaxys

210 - 212

Wolff; Justus Liebigs Annalen der Chemie; vol. 325; (1902); p. 137; Justus Liebigs Annalen der Chemie; vol. 394; (1912); p. 46 Anm. 2, View in Reaxys

215

Radziszewski; Chemische Berichte; vol. 3; (1870); p. 198, View in Reaxys

Refractive Index (33) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Re- References fractive Index) [°C]

1.515

589

1.517

589

Colau,R.; Viel,C.; Bulletin de la Societe Chimique de France; vol. <II>; (1979); p. 362 - 365, View in Reaxys

1.5166

589

Zielinski,W.; Polish Journal of Chemistry; vol. 52; (1978); p. 2233 2241, View in Reaxys; Lee,J.B.; Tetrahedron Letters; nb. 46; (1966); p. 5669 - 5672, View in Reaxys

1.5161

589

15/100

2016-03-05 02:04:53

1.5144

589

Bellassoued; Gaudemar; Journal of Organometallic Chemistry; vol. 81; (1974); p. 139,141, View in Reaxys

1.516

589

Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys

1.5145

589

Adcock,W. et al.; Australian Journal of Chemistry; vol. 23; (1970); p. 1921 - 1937, View in Reaxys

1.5155

589

Corey,E.J.; Shulman,J.I.; Journal of Organic Chemistry; vol. 35; nb. 3; (1970); p. 777 - 780, View in Reaxys

1.5126

589

Sethi et al.; Canadian Journal of Chemistry; vol. 47; (1969); p. 1083, View in Reaxys

1.5169

589

Ogata et al.; Tetrahedron; vol. 24; (1968); p. 1617,1620, View in Reaxys

1.5202

589

Kupin; Zhurnal Organicheskoi Khimii; vol. 1; (1965); p. 1206,1217, View in Reaxys; Kupin; Petrov; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 975,937, View in Reaxys

1.518

589

Reinheckel,H.; Tauber,G.; Monatshefte fuer Chemie; vol. 98; (1967); p. 1944 - 1953, View in Reaxys

1.5168

589

Wallach; Justus Liebigs Annalen der Chemie; vol. 332; (1904); p. 317, View in Reaxys; Patent; Soc. Oril.; FR1457540; (1966); Chem.Abstr.; vol. 67; nb. 90535, View in Reaxys

1.5124

589

Unterhalt; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 299; (1966); p. 608,611, View in Reaxys

1.5173

589

Brown et al.; Journal of the American Chemical Society; vol. 87; (1965); p. 1274,1275, View in Reaxys

1.5171

589

Khromov-Borisov,N.V. et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 32; (1962); p. 3207 - 3211,3152 - 3155, View in Reaxys

1.5163

589

Buehler et al.; Anales de la Asociacion Quimica Argentina (1921-2001); vol. 48; (1960); p. 48,53, View in Reaxys

1.51685

589

Hock; Kropf; Chemische Berichte; vol. 91; (1956); p. 1681,1687, View in Reaxys

1.5164

589

Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys

1.512

656.3

Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys

1.5276

486.1

Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys

1.537

434

Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys

1.51386

656.3

19.9

v.Auwers; Wunderling; Chemische Berichte; vol. 65; (1932); p. 70,78, View in Reaxys

1.51842

587.6

19.9

v.Auwers; Wunderling; Chemische Berichte; vol. 65; (1932); p. 70,78, View in Reaxys

1.52983

486.1

19.9

v.Auwers; Wunderling; Chemische Berichte; vol. 65; (1932); p. 70,78, View in Reaxys

1.5124

656.3

19.2

v.Auwers; Mauss; Biochemische Zeitschrift; vol. 192; (1928); p. 228, View in Reaxys

1.5169

587.6

19.2

v.Auwers; Mauss; Biochemische Zeitschrift; vol. 192; (1928); p. 228, View in Reaxys

1.528

486.1

19.2

v.Auwers; Mauss; Biochemische Zeitschrift; vol. 192; (1928); p. 228, View in Reaxys

1.5376

434

19.2

v.Auwers; Mauss; Biochemische Zeitschrift; vol. 192; (1928); p. 228, View in Reaxys

16/100

2016-03-05 02:04:53

1.5174

589

Danilow; Venus-Danilowa; Chemische Berichte; vol. 60; (1927); p. 1062; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 59; (1927); p. 204, View in Reaxys

1.5096

656.3

22.9

v. Auwers; Jordan; Biochemische Zeitschrift; vol. 144; (1924); p. 35,41, View in Reaxys

1.5139

589

22.9

v. Auwers; Jordan; Biochemische Zeitschrift; vol. 144; (1924); p. 35,41, View in Reaxys

1.5245

486.1

22.9

v. Auwers; Jordan; Biochemische Zeitschrift; vol. 144; (1924); p. 35,41, View in Reaxys

Density (20) 1 of 20

Density [g·cm-3]

1.0056

Reference Temperature [°C]

Measurement Tempera- 20 ture [°C] Kuroyan, R. A.; Markosyan, A. I.; Engoyan, A. P.; Vartanyan, S. A.; Journal of Organic Chemistry USSR (English Translation); vol. 19; (1983); p. 1709 - 1714; Zhurnal Organicheskoi Khimii; vol. 19; nb. 9; (1983); p. 1947 - 1953, View in Reaxys 2 of 20

Density [g·cm-3]

0.99722

Measurement Tempera- 25 ture [°C] Urdaneta et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 851,852, 854, View in Reaxys 3 of 20

Density [g·cm-3]

0.99807

Measurement Tempera- 25 ture [°C] Urdaneta et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 851,852, 854, View in Reaxys; Grolier et al.; Journal of Chemical Thermodynamics; vol. 9; (1977); p. 697,698-700, View in Reaxys 4 of 20

Density [g·cm-3]

1.0239

Reference Temperature [°C]

Measurement Tempera- 20 ture [°C] Tantsyura et al.; Metody Polucheniya Khimicheskikh Reaktivov i Preparatov; vol. 26; (1974); p. 155,156; Chem.Abstr.; vol. 83; nb. 113854p; Chem. Zentralbl.; Ref.Zh.,Khim.1975,Abstr.No.4 N 132, View in Reaxys 5 of 20

Density [g·cm-3]

1.0081

Reference Temperature [°C]

Measurement Tempera- 22 ture [°C] Bellassoued; Gaudemar; Journal of Organometallic Chemistry; vol. 81; (1974); p. 139,141, View in Reaxys 6 of 20

Density [g·cm-3]

1.003

Reference Temperature [°C]

Measurement Tempera- 25 ture [°C] Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys 7 of 20

Density [g·cm-3]

1.0073

Reference Temperature [°C]

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Measurement Tempera- 20 ture [°C] Kupin; Petrov; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 975,937, View in Reaxys 8 of 20

Density [g·cm-3]

1.0128

Reference Temperature [°C]

Measurement Tempera- 20 ture [°C] Kupin; Zhurnal Organicheskoi Khimii; vol. 1; (1965); p. 1206,1217, View in Reaxys 9 of 20

Density [g·cm-3]

1.0018

Reference Temperature [°C]

Measurement Tempera- 20 ture [°C] Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys 10 of 20

Density [g·cm-3]

0.985

Reference Temperature [°C]

Measurement Tempera- 40.3 ture [°C] Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys 11 of 20

Density [g·cm-3]

0.969

Reference Temperature [°C]

Measurement Tempera- 59.9 ture [°C] Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys 12 of 20

Density [g·cm-3]

0.947

Reference Temperature [°C]

Measurement Tempera- 85.3 ture [°C] Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys 13 of 20

Density [g·cm-3]

1.0067

Reference Temperature [°C]

Measurement Tempera- 19.9 ture [°C] v.Auwers; Wunderling; Chemische Berichte; vol. 65; (1932); p. 70,78, View in Reaxys 14 of 20

Density [g·cm-3]

1.0012

Reference Temperature [°C]

Measurement Tempera- 19.2 ture [°C] v.Auwers; Mauss; Biochemische Zeitschrift; vol. 192; (1928); p. 228, View in Reaxys 15 of 20

Density [g·cm-3]

1.0157

Reference Temperature [°C]

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Measurement Tempera- 20 ture [°C] Danilow; Venus-Danilowa; Chemische Berichte; vol. 60; (1927); p. 1062; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 59; (1927); p. 204, View in Reaxys 16 of 20

Density [g·cm-3]

1.0247

Reference Temperature [°C]

Measurement Tempera- 0 ture [°C] Danilow; Venus-Danilowa; Chemische Berichte; vol. 60; (1927); p. 1062; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 59; (1927); p. 204, View in Reaxys 17 of 20

Density [g·cm-3]

1.0044

Reference Temperature [°C]

Measurement Tempera- 22.9 ture [°C] v. Auwers; Jordan; Biochemische Zeitschrift; vol. 144; (1924); p. 35,41, View in Reaxys 18 of 20

Density [g·cm-3]

1.019

Reference Temperature [°C]

Measurement Tempera- 0 ture [°C] Senderens; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 313, View in Reaxys; Senderens; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 150; (1910); p. 1337; Bulletin de la Societe Chimique de France; vol. <4> 7; (1910); p. 654, View in Reaxys 19 of 20

Density [g·cm-3]

1.0257

Measurement Tempera- 0 ture [°C] Tiffeneau; Annales de Chimie (Cachan, France); vol. <8> 10; (1907); p. 359; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 134; (1902); p. 1506, View in Reaxys 20 of 20

Density [g·cm-3]

1.003

Measurement Tempera- 20 ture [°C] Wallach; Justus Liebigs Annalen der Chemie; vol. 332; (1904); p. 317, View in Reaxys Chromatographic Data (4) Chromatographic Location data

References

GC (Gas chroma- supporting infortography) mation

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys; Musa, Musa M.; Patel, Jay M.; Nealon, Christopher M.; Kim, Chang Sup; Phillips, Robert S.; Karume, Ibrahim; Journal of Molecular Catalysis B: Enzymatic; vol. 115; (2015); p. 155 - 159, View in Reaxys

TLC (Thin layer chromatography)

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys; Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav; Journal of the American Chemical Society; vol. 137; nb. 28; (2015); p. 8892 - 8895, View in Reaxys

HPLC (High performance liquid chromatography)

supporting information

Brondani, Patrcia B.; Dudek, Hanna M.; Martinoli, Christian; Mattevi, Andrea; Fraaije, Marco W.; Journal of the American Chemical Society; vol. 136; nb. 49; (2014); p. 16966 16969, View in Reaxys; Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.; Journal of the American Chemical Society; vol. 137; nb. 7; (2015); p. 2456 - 2459, View in Reaxys

GC (Gas chromatography)

Castelbou, Jessica Llop; Bres-Femenia, Emma; Blondeau, Pascal; Chaudret, Bruno; Castilln, Sergio; Claver, Carmen; Godard, Cyril; ChemCatChem; vol. 6; nb. 11; (2014); p. 3160 - 3168, View in Reaxys

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Conformation (1) Object of Investi- References gation Conformation

Decock et al.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 273; (1971); p. 102, View in Reaxys; MacKenzie et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 3328,3329, View in Reaxys

Crystal Property Description (11) Colour & Other Location Properties colourless

supporting information

colourless

References Purohit, Vikram C.; Allwein, Shawn P.; Bakale, Roger P.; Organic Letters; vol. 15; nb. 7; (2013); p. 1650 - 1653, View in Reaxys; Ahmad, Anees; Scarassati, Paulo; Jalalian, Nazli; Olofsson, Berit; Silva Jr., Luiz F.; Tetrahedron Letters; vol. 54; nb. 43; (2013); p. 5818 - 5820, View in Reaxys; Gowrisankar, Saravanan; Neumann, Helfried; Goerdes, Dirk; Thurow, Kerstin; Jiao, Haijun; Beller, Matthias; Chemistry - A European Journal; vol. 19; nb. 47; (2013); p. 15979 - 15984, View in Reaxys; Yoshimura, Akira; Nguyen, Khiem C.; Klasen, Scott C.; Saito, Akio; Nemykin, Victor N.; Zhdankin, Viktor V.; Chemical Communications; vol. 51; nb. 37; (2015); p. 7835 - 7838, View in Reaxys; Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav; Journal of the American Chemical Society; vol. 137; nb. 28; (2015); p. 8892 - 8895, View in Reaxys; Lamb, Jessica R.; Mulzer, Michael; Lapointe, Anne M.; Coates, Geoffrey W.; Journal of the American Chemical Society; vol. 137; nb. 47; (2015); p. 15049 15054, View in Reaxys Zhu, Min; Zhao, Yang; Chinese Chemical Letters; vol. 26; nb. 2; (2015); p. 248 - 250, View in Reaxys

yellow

Paragraph 00212

Patent; SUNOVION PHARMACEUTICALS INC.; NEWCOM, Jason, S.; SPEAR, Kerry, L.; WO2015/88565; (2015); (A1) English, View in Reaxys

yellow

supporting information

Steves, Janelle E.; Stahl, Shannon S.; Journal of the American Chemical Society; vol. 135; nb. 42; (2013); p. 15742 - 15745, View in Reaxys; Wang, Yu-Fei; Gao, Ya-Ru; Mao, Shuai; Zhang, Yan-Lei; Guo, Dong-Dong; Yan, Zhao-Lei; Guo, Shi-Huan; Wang, YongQiang; Organic Letters; vol. 16; nb. 6; (2014); p. 1610 - 1613, View in Reaxys

yellow

Paragraph 00367

Patent; QUANTICEL PHARMACEUTICALS, INC; NIE, Zhe; STAFFORD, Jeffrey, Alan; VEAL, James, Marvin; WALLACE, Michael, Brennan; WO2014/89364; (2014); (A1) English, View in Reaxys

yellow

Page/Page column 147

yellow

Ammermann, Sven; Hrib, Christian; Jones, Peter G.; Du Mont, Wolf-Walther; Kowalsky, Wolfgang; Johannes, Hans-Hermann; Organic Letters; vol. 14; nb. 19; (2012); p. 5090 - 5093, View in Reaxys supporting information

Yonehara, Mitsuhiro; Nakamura, Shinji; Muranaka, Atsuya; Uchiyama, Masanobu; Chemistry - An Asian Journal; vol. 5; nb. 3; (2010); p. 452 - 455, View in Reaxys; Munoz, Maria Paz; De La Torre, Maria C.; Sierra, Miguel A.; Advanced Synthesis and Catalysis; vol. 352; nb. 13; (2010); p. 2189 - 2194, View in Reaxys

colourless

Ema, Tadashi; Ura, Norichika; Yoshii, Masataka; Korenaga, Toshinobu; Sakai, Takashi; Tetrahedron; vol. 65; nb. 46; (2009); p. 9583 - 9591, View in Reaxys

light-yellow

Tellitu, Imanol; Dominguez, Esther; Tetrahedron; vol. 64; nb. 10; (2008); p. 2465 - 2470, View in Reaxys

yellow

Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 - 942, View in Reaxys

Dielectric Constant (1) References Vidal et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 30; (1974); p. 317, View in Reaxys Dissociation Energy (4) Dissociation Ener- Bond Type gy [Jmol-1] 347396

C-H

References Alnajjar, Mikhail S.; Zhang, Xian-Man; Gleicher, Gerald J.; Truksa, Scott V.; Franz, James A.; Journal of Organic Chemistry; vol. 67; nb. 25; (2002); p. 9016 - 9022, View in Reaxys

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414493

Ph-CH2COCH

Galli, Carlo; Gentili, Patrizia; Acta Chemica Scandinavica; vol. 52; nb. 1; (1998); p. 67 76, View in Reaxys McMahon; Kebarle; Journal of the American Chemical Society; vol. 96; (1974); p. 5940, View in Reaxys

263768

Szwarc; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 207; (1951); p. 5,13, View in Reaxys

Dissociation Exponent (4) 1 of 4

Type (Dissociation Exponent)

a1/apparent

Bordwell, Frederick G.; McCallum, Robert J.; Olmstead, William N.; Journal of Organic Chemistry; vol. 49; nb. 8; (1984); p. 1424 - 1427, View in Reaxys 2 of 4

Comment (Dissociation Exponent)

(pk')pK(a)Keto, pK(a)Enol

Guthrie; Canadian Journal of Chemistry; vol. 57; (1979); p. 1177,1182, View in Reaxys 3 of 4

Comment (Dissociation Exponent)

(k')Saeurestaerke in der Gasphase (Tab.III)

Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys 4 of 4

Comment (Dissociation Exponent)

(pk')pK (DMSO)

Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys Electrical Moment (1) 1 of 1

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.72

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

benzene

Alpen; Kumler; Journal of the American Chemical Society; vol. 72; (1950); p. 5745, View in Reaxys Electrochemical Behaviour (5) Description (Elec- References trochemical Behaviour) Acidity

Cumming; Kebarle; Canadian Journal of Chemistry; vol. 56; (1978); p. 1,5, View in Reaxys; Kebarle et al.; International Journal of Mass Spectrometry and Ion Physics; vol. 19; (1976); p. 71,79, View in Reaxys; Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 23; (1968); p. 271,222, View in Reaxys; Guthrie; Canadian Journal of Chemistry; vol. 57; (1979); p. 1177,1182, View in Reaxys; Alnajjar, Mikhail S.; Zhang, Xian-Man; Gleicher, Gerald J.; Truksa, Scott V.; Franz, James A.; Journal of Organic Chemistry; vol. 67; nb. 25; (2002); p. 9016 - 9022, View in Reaxys

Proton affinity

Szulejko; McMahon; Journal of the American Chemical Society; vol. 115; nb. 17; (1993); p. 7839 - 7848, View in Reaxys

Electrolytic dissociation / protonation equilibrium

Bordwell, Frederick G.; Harrelson, John A.; Canadian Journal of Chemistry; vol. 68; nb. 10; (1990); p. 1714 - 1718, View in Reaxys; Bordwell, Frederick G.; McCallum, Robert J.; Olmstead, William N.; Journal of Organic Chemistry; vol. 49; nb. 8; (1984); p. 1424 - 1427, View in Reaxys

Thermodynamic parameters for dissociation / protonation

Arnett, Edward M.; Venkatasubramaniam, K. G.; Journal of Organic Chemistry; vol. 48; nb. 10; (1983); p. 1569 - 1578, View in Reaxys

Polarography

Molnar et al.; Chemicke Zvesti; vol. 14; (1960); p. 783,786,787; Chem.Abstr.; vol. 55; nb. 16221; (1961), View in Reaxys

Electrochemical Characteristics (5) 1 of 5

Description (Electrochemical Characteristics)

redox potential

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Solvent (Electrochemical tetrahydrofuran Characteristics) Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -3 V; Product: /BRN= 7989042/. No. of transm. electrons: 1. Method: cyclovoltammetry. Deical Characteristics) scription: vs. SCE Product

1-Phenyl-propan-2-one

Galli, Carlo; Gentili, Patrizia; Acta Chemica Scandinavica; vol. 52; nb. 1; (1998); p. 67 - 76, View in Reaxys 2 of 5

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical acetonitrile Characteristics) Comment (Electrochem- 1.87 V; Product: /BRN= 6389597/. No. of transm. electrons: 1. Method: cyclovoltammetry ical Characteristics) Product

1-Phenyl-propan-2-one

Schmittel, Michael; Levis, Michael; Chemistry Letters; nb. 10; (1994); p. 1935 - 1938, View in Reaxys 3 of 5

Description (Electrochemical Characteristics)

oxidation potential

Kern; Federlin; Tetrahedron Letters; (1977); p. 837,838, View in Reaxys; Graser, Barbara; Strohmeier, Walter; Marcec, Radovan; Steigerwald, Hannelore; Berichte der Bunsen-Gesellschaft; vol. 85; nb. 7; (1981); p. 671 - 677, View in Reaxys 4 of 5

Description (Electrochemical Characteristics)

polarographic half-wave potential

Kern; Federlin; Tetrahedron Letters; (1977); p. 837,838, View in Reaxys 5 of 5

Description (Electrochemical Characteristics)

polarographic half-wave potential

Comment (Electrochem- (wss. Aethanol bzw. wss. Dioxan). ical Characteristics) Powers; Day; Journal of Organic Chemistry; vol. 24; (1959); p. 722, View in Reaxys Electron Binding (1) Description (Elec- References tron Binding) Electron affinity

Mc Mahon; Ke Garle; Journal of the American Chemical Society; vol. 98; (1976); p. 3399, View in Reaxys

Energy Barriers (1) References McMahon; Kebarle; Journal of the American Chemical Society; vol. 96; (1974); p. 5940, View in Reaxys Energy Data (MCS) (2) 1 of 2

Description (Energy Data (MCS))

Excess thermochemical parameter

Urdaneta et al.; Journal of Chemical Thermodynamics; vol. 11; (1979); p. 851,852, 854, View in Reaxys; Grolier et al.; Journal of Chemical Thermodynamics; vol. 9; (1977); p. 697,698-700, View in Reaxys 2 of 2

Description (Energy Data (MCS))

Enthalpy of solution

Arnett et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 5598, View in Reaxys Enthalpy of Combustion (3) Enthalpy of Com- Comment (Enthal- References bustion [Jmol-1] py of Combustion)

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Krall; Roberts; Preprints - American Chemical Society, Division of Petroleum Chemistry; vol. 3; nb. 4; (1958); p. 63,64; Chem.Abstr.; nb. 23511; (1960), View in Reaxys -4.81096E+06

Standard.

Parks et al.; Journal of Chemical Physics; vol. 22; (1954); p. 2089, View in Reaxys

-4.82168E+06

Standard.

Nicholson et al.; Journal of the Chemical Society; (1954); p. 2767, View in Reaxys; Springall; White; Journal of the Chemical Society; (1954); p. 2764, View in Reaxys

Enthalpy of Formation (1) Enthalpy of ForComment (Enthal- References mation [Jmol-1] py of Formation) -152399

Standard.

Nicholson et al.; Journal of the Chemical Society; (1954); p. 2767, View in Reaxys

Enthalpy of Vaporization (1) Enthalpy of VaTemperature (En- References porization thalpy of Vapori[Jmol-1] zation) [°C] 57694.1

Nicholson et al.; Journal of the Chemical Society; (1954); p. 2767, View in Reaxys

Further Information (24) Description (Fur- References ther Information) Further information

Migahed; Abd El-Kader; International Journal of Mass Spectrometry and Ion Physics; vol. 31; (1979); p. 373, View in Reaxys

Further information

Bartmess et al.; Journal of the American Chemical Society; vol. 101; (1979); p. 6046,6049,6053, View in Reaxys

Further information

Bartsch et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 4105,4106,4107, View in Reaxys

Further information

Coutts; Jones; Liu; Biomedical Mass Spectrometry; vol. 5; nb. 6; (1978); p. 418 - 422, View in Reaxys

Further information

Guyon; Villa; Bulletin de la Societe Chimique de France; (1977); p. 145,146, 148, View in Reaxys

Further information

Decock et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 72; (1975); p. 778, View in Reaxys

Further information

Cornish; Eaborn; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 874, View in Reaxys

Further information

Kinlin et al.; Journal of Agricultural and Food Chemistry; vol. 20; (1972); p. 1021,1023, View in Reaxys

Further information

v. Buenau; Potzinger; Berichte der Bunsen-Gesellschaft; vol. 73; (1969); p. 473,475, View in Reaxys

Further information

Gustafsson,R. et al.; Acta Chemica Scandinavica (1947-1973); vol. 23; (1969); p. 1843 - 1851, View in Reaxys

Further information

Pollini et al.; Farmaco, Edizione Scientifica; vol. 23; (1968); p. 405,406, View in Reaxys

Further information

Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 832,834; ; p. 1584, View in Reaxys

Further information

Mao et al.; Journal of the American Chemical Society; vol. 89; (1967); p. 5303, View in Reaxys

Further information

Zaitsev; Organic Reactivity (New York, English Translation); vol. 4; (1967); p. 145,146, View in Reaxys

Further information

Jones; Johnson; Journal of Organic Chemistry; vol. 32; (1967); p. 1402,1405, 1406, View in Reaxys

Further information

Pocar,D. et al.; Gazzetta Chimica Italiana; vol. 95; (1965); p. 1220 - 1236, View in Reaxys

Further information

Schwetlick et al.; Journal fuer Praktische Chemie (Leipzig); vol. 22; (1963); p. 113,119, View in Reaxys

Further information

House; Kramar; Journal of Organic Chemistry; vol. 28; (1963); p. 3362,3364, View in Reaxys

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Further information

Michel; Bulletin des Societes Chimiques Belges; vol. 72; (1963); p. 138, View in Reaxys

Further information

Cox; Tetrahedron; vol. 18; (1962); p. 1337,1342, View in Reaxys

Further information

Foster; Mackie; Tetrahedron; vol. 18; (1962); p. 1131,1134, View in Reaxys

Further information

Drucker; Rosen; Analytical Chemistry; vol. 33; (1961); p. 273, View in Reaxys

Further information

Kupin; Petrow; J. Gen. Chem. USSR (Engl. Transl.); vol. 31; (1961); p. 2958,2758; Chem.Abstr.; vol. 57; nb. 2125; (1962), View in Reaxys

Further information

Shiho,D.; Tagami,S.; Journal of the American Chemical Society; vol. 82; (1960); p. 4044 - 4054, View in Reaxys

Ionization Potential (1) References Centineo et al.; Journal of Molecular Structure; vol. 44; (1978); p. 203,204, View in Reaxys Liquid/Liquid Systems (MCS) (9) 1 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

2-nitrophenyl octyl ether

Description (Liquid/Liquid Systems (MCS))

Solution equilibrium

Comment (Liquid/Liquid Systems (MCS))

equation

Partner (Liquid/Liquid Systems (MCS))

chloroform

Abraham, Michael H.; Platts, James A.; Hersey, Anne; Leo, Albert J.; Taft, Robert W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 7; (1999); p. 670 - 679, View in Reaxys 3 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Comment (Liquid/Liquid Systems (MCS))

equation

Partner (Liquid/Liquid Systems (MCS))

chloroform

Abraham, Michael H.; Platts, James A.; Hersey, Anne; Leo, Albert J.; Taft, Robert W.; Journal of Pharmaceutical Sciences; vol. 88; nb. 7; (1999); p. 670 - 679, View in Reaxys 4 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

1,2-DICHLOROETHANE

Steyaert, Guillaume; Lisa, Guiseppe; Gaillard, Patrick; Boss, Gilles; Reymond, Frederic; Girault, Hubert H.; Carrupt, Pierre-Alain; Testa, Bernard; Journal of the Chemical Society - Faraday Transactions; vol. 93; nb. 3; (1997); p. 401 - 406, View in Reaxys 5 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Partner (Liquid/Liquid Systems (MCS))

dibutyl ether; H2O

Pagliara, Alessandra; Caron, Giulia; Lisa, Giuseppe; Fan, Weizheng; Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard; Abraham, Michael H.; Journal of the Chemical Society. Perkin Transactions 2; nb. 12; (1997); p. 2639 - 2643, View in Reaxys

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6 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

H2O

Partner (Liquid/Liquid Systems (MCS))

1-Octanol

Kamlet, Mortimer J.; Doherty, Ruth M.; Abraham, Michael H.; Marcus, Yizhak; Taft, Robert W.; Journal of Physical Chemistry; vol. 92; nb. 18; (1988); p. 5244 - 5255, View in Reaxys 7 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Hansch et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3090, View in Reaxys 8 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

petroleum ether; aq. H2SO4

Comment (Liquid/Liquid Systems (MCS))

verschiedene Konzentration.

Baker; Hey; Journal of the Chemical Society; (1932); p. 2917,2920, 2922, View in Reaxys 9 of 9

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

petroleum ether; aq. H3PO4

Comment (Liquid/Liquid Systems (MCS))

verschiedene Konzentration.

Baker; Hey; Journal of the Chemical Society; (1932); p. 2917,2920, 2922, View in Reaxys Liquid/Vapour Systems (MCS) (1) 1 of 1

Description (Liquid/Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Monfort et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 67; (1970); p. 748,749-753, View in Reaxys Magnetic Susceptibility (2) Magnetic SusReferences ceptibility [10-6cm3mol-1] -83.4

Angus; Llewelyn; Transactions of the Faraday Society; vol. 51; (1955); p. 245,246, View in Reaxys

-83.2

French; Transactions of the Faraday Society; vol. 50; (1954); p. 1320,1321, View in Reaxys

Mechanical Properties (1) Description (MeReferences chanical Properties) Molar volume Optics (1) Description (Optics) Magnetorotation

Taft; Abraham; Famini; Doherty; Abboud; Kamlet; Journal of Pharmaceutical Sciences; vol. 74; nb. 8; (1985); p. 807 - 814, View in Reaxys References Dawber, J. Graham; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 80; (1984); p. 2133 - 2144, View in Reaxys; Dawber, J. Graham; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 78; (1982); p. 2297 - 2302, View in Reaxys

Other Thermochemical Data (2) Description (Other References Thermochemical Data) Enthalpy

Bordwell et al.; Journal of the American Chemical Society; vol. 97; (1975); p. 3226, View in Reaxys

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Thermodynamic properties

Brown et al.; Journal of the American Chemical Society; vol. 87; (1965); p. 1274,1275, View in Reaxys

Sound Properties (2) Description Comment (Sound (Sound ProperProperties) ties)

References

Velocity of sound

in Phenylaceton bei 25grad.

de Groot; Lamb; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 242; (1957); p. 36,43, View in Reaxys

Sound absorption

in Phenylaceton bei 25grad.

de Groot; Lamb; Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences; vol. 242; (1957); p. 36,43, View in Reaxys

Surface Tension (1) Surface Tension Temperature References [g·s-2] (Surface Tension) [°C] 30.59 - 38.07

19.2 - 86

Vogel; Journal of the Chemical Society; (1948); p. 631, View in Reaxys

NMR Spectroscopy (90) 1 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Location

supporting information

Morandi, Bill; Wickens, Zachary K.; Grubbs, Robert H.; Angewandte Chemie - International Edition; vol. 52; nb. 10; (2013); p. 2944 - 2948; Angew. Chem.; (2013); p. 3016 - 3020, View in Reaxys; Rajabi, Fatemeh; Pineda, Antonio; Naserian, Sareh; Balu, Alina Mariana; Luque, Rafael; Romero, Antonio A.; Green Chemistry; vol. 15; nb. 5; (2013); p. 1232 - 1237, View in Reaxys; Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, YanBiao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys 2 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

125

Location

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys; Swamy, Peraka; Reddy, Marri Mahender; Naresh, Mameda; Kumar, Macharla Arun; Srujana, Kodumuri; Durgaiah, Chevella; Narender, Nama; Advanced Synthesis and Catalysis; vol. 357; nb. 6; (2015); p. 1125 - 1130, View in Reaxys; Yoshimura, Akira; Nguyen, Khiem C.; Klasen, Scott C.; Saito, Akio; Nemykin, Victor N.; Zhdankin, Viktor V.; Chemical Communications; vol. 51; nb. 37; (2015); p. 7835 - 7838, View in Reaxys 3 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Original Text (NMR Spectroscopy)

Signals [ppm]

7.36 - 7.39; 7.28 - 7.31; 7.22; 3.71; 2.17

Kind of signal

m, 2H; m, 1H; d, 2H, J = 8.4 Hz; s, 2H; s, 3H

NMR (500 MHz, CDCl3): δ 7.39-7.36 (m, 2H), 7.31-7.28 (m, 1H), 7.22 (d, 2H, J = 8.4 Hz), 3.71(s, 2H), 2.17 (s, 3H)

Zhu, Min; Zhao, Yang; Chinese Chemical Letters; vol. 26; nb. 2; (2015); p. 248 - 250, View in Reaxys

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Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

125

Original Text (NMR Spectroscopy)

13C

Signals [ppm]

206.5; 134.3; 129.3; 128.8; 127.1; 51.1; 29.2

NMR (125 MHz, CDCl3): δ 206.5, 134.3, 129.3, 128.8, 127.1, 51.1, 29.2

Zhu, Min; Zhao, Yang; Chinese Chemical Letters; vol. 26; nb. 2; (2015); p. 248 - 250, View in Reaxys 5 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Swamy, Peraka; Reddy, Marri Mahender; Naresh, Mameda; Kumar, Macharla Arun; Srujana, Kodumuri; Durgaiah, Chevella; Narender, Nama; Advanced Synthesis and Catalysis; vol. 357; nb. 6; (2015); p. 1125 - 1130, View in Reaxys; Yoshimura, Akira; Nguyen, Khiem C.; Klasen, Scott C.; Saito, Akio; Nemykin, Victor N.; Zhdankin, Viktor V.; Chemical Communications; vol. 51; nb. 37; (2015); p. 7835 - 7838, View in Reaxys 6 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Lamb, Jessica R.; Mulzer, Michael; Lapointe, Anne M.; Coates, Geoffrey W.; Journal of the American Chemical Society; vol. 137; nb. 47; (2015); p. 15049 - 15054, View in Reaxys 7 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectroscopy) [MHz]

101

Location

supporting information

Lamb, Jessica R.; Mulzer, Michael; Lapointe, Anne M.; Coates, Geoffrey W.; Journal of the American Chemical Society; vol. 137; nb. 47; (2015); p. 15049 - 15054, View in Reaxys

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8 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

600

Location

supporting information

He, Chuan; Guo, Sheng; Huang, Li; Lei, Aiwen; Journal of the American Chemical Society; vol. 132; nb. 24; (2010); p. 8273 - 8275, View in Reaxys; Wang, Zhi-Ming; Sang, Xue-Ling; Che, Chi-Ming; Chen, Jian; Tetrahedron Letters; vol. 55; nb. 10; (2014); p. 1736 - 1739, View in Reaxys 9 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Purohit, Vikram C.; Allwein, Shawn P.; Bakale, Roger P.; Organic Letters; vol. 15; nb. 7; (2013); p. 1650 - 1653, View in Reaxys; Wang, Yu-Fei; Gao, Ya-Ru; Mao, Shuai; Zhang, Yan-Lei; Guo, Dong-Dong; Yan, Zhao-Lei; Guo, Shi-Huan; Wang, Yong-Qiang; Organic Letters; vol. 16; nb. 6; (2014); p. 1610 - 1613, View in Reaxys 10 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Location

supporting information

Zhang, Xiaoming; Sarkar, Sujan K.; Weragoda, Geethika K.; Rajam, Sridhar; Ault, Bruce S.; Gudmundsdottir, Anna D.; Journal of Organic Chemistry; vol. 79; nb. 2; (2014); p. 653 - 663, View in Reaxys 12 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Original Text (NMR Spectroscopy)

1H NMR: δ 7.36-7.32 (m, 2H), 7.30-7.25 (m, 1H), 7.23-7.19 (m, 2H), 3.70 (s, 2H), 2.15 (s, 3H).

Location

Paragraph 0129; 0130

Patent; CALIFORNIA INSTITUTE OF TECHNOLOGY; MORANDI, Bill; GRUBBS, Robert H.; WICKENS, Zachary K.; US2014/194604; (2014); (A1) English, View in Reaxys

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Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Original Text (NMR Spectroscopy)

13C

Location

Paragraph 0129; 0130

NMR: δ 206.3, 134.2, 129.4, 128.8, 127.1, 51.0, 29.3.

Patent; CALIFORNIA INSTITUTE OF TECHNOLOGY; MORANDI, Bill; GRUBBS, Robert H.; WICKENS, Zachary K.; US2014/194604; (2014); (A1) English, View in Reaxys 14 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Munoz, Maria Paz; De La Torre, Maria C.; Sierra, Miguel A.; Advanced Synthesis and Catalysis; vol. 352; nb. 13; (2010); p. 2189 - 2194, View in Reaxys; Li, Pengbin; Lue, Bo; Fu, Chunling; Ma, Shengming; Advanced Synthesis and Catalysis; vol. 355; nb. 7; (2013); p. 1255 - 1259, View in Reaxys 15 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

Location

supporting information

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Location

supporting information

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys

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18 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Location

supporting information

Ahmad, Anees; Scarassati, Paulo; Jalalian, Nazli; Olofsson, Berit; Silva Jr., Luiz F.; Tetrahedron Letters; vol. 54; nb. 43; (2013); p. 5818 - 5820, View in Reaxys 19 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

Location

supporting information

Ahmad, Anees; Scarassati, Paulo; Jalalian, Nazli; Olofsson, Berit; Silva Jr., Luiz F.; Tetrahedron Letters; vol. 54; nb. 43; (2013); p. 5818 - 5820, View in Reaxys 20 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Steves, Janelle E.; Stahl, Shannon S.; Journal of the American Chemical Society; vol. 135; nb. 42; (2013); p. 15742 - 15745, View in Reaxys 21 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

101

Location

supporting information

Steves, Janelle E.; Stahl, Shannon S.; Journal of the American Chemical Society; vol. 135; nb. 42; (2013); p. 15742 - 15745, View in Reaxys 22 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy)

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Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Gowrisankar, Saravanan; Neumann, Helfried; Goerdes, Dirk; Thurow, Kerstin; Jiao, Haijun; Beller, Matthias; Chemistry - A European Journal; vol. 19; nb. 47; (2013); p. 15979 - 15984, View in Reaxys 23 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

Location

supporting information

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Original Text (NMR Spectroscopy)

'H-NMR: 300 MHz, (CDC13) δ 7.35-7.10 (m, 5H), 3.65 (s, 2H), 2.11 (s, 3 H).

Location

Page/Page column 147

Comment (NMR Spectroscopy)

Signals given

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Location

supporting information

Elkin, Pavel K.; Levin, Vitalij V.; Dilman, Alexander D.; Struchkova, Marina I.; Belyakov, Pavel A.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Tartakovsky, Vladimir A.; Tetrahedron Letters; vol. 52; nb. 41; (2011); p. 5259 - 5263, View in Reaxys 26 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Genna, Douglas T.; Posner, Gary H.; Organic Letters; vol. 13; nb. 19; (2011); p. 5358 - 5361, View in Reaxys

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27 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Genna, Douglas T.; Posner, Gary H.; Organic Letters; vol. 13; nb. 19; (2011); p. 5358 - 5361, View in Reaxys 28 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Ertuerk, Erkan; Goellue, Mehmet; Demir, Ayhan S.; Tetrahedron; vol. 66; nb. 13; (2010); p. 2373 - 2377, View in Reaxys 29 of 90

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

150

Location

supporting information

He, Chuan; Guo, Sheng; Huang, Li; Lei, Aiwen; Journal of the American Chemical Society; vol. 132; nb. 24; (2010); p. 8273 - 8275, View in Reaxys 30 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Yonehara, Mitsuhiro; Nakamura, Shinji; Muranaka, Atsuya; Uchiyama, Masanobu; Chemistry - An Asian Journal; vol. 5; nb. 3; (2010); p. 452 - 455, View in Reaxys 31 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Knobloch, Eva; Brueckner, Reinhard; Synlett; nb. 12; (2008); p. 1865 - 1869, View in Reaxys; Knobloch, Eva; Brueckner, Reinhard; Synthesis; nb. 14 SPEC. ISS.; (2008); p. 2229 - 2246; Art.No: C02108SS, View in Reaxys;

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Maeda, Hajime; Nishitsuji, Nana; Mizuno, Kazuhiko; Research on Chemical Intermediates; vol. 36; nb. 5; (2010); p. 577 - 585, View in Reaxys 32 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Denton, Justin R.; Davies, Huw M. L.; Organic Letters; vol. 11; nb. 4; (2009); p. 787 - 790, View in Reaxys 33 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

Balamurugan, Rengarajan; Gudla, Vanajakshi; Organic Letters; vol. 11; nb. 14; (2009); p. 3116 - 3119, View in Reaxys 34 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Frequency (NMR Spectroscopy) [MHz]

300

Ema, Tadashi; Ura, Norichika; Yoshii, Masataka; Korenaga, Toshinobu; Sakai, Takashi; Tetrahedron; vol. 65; nb. 46; (2009); p. 9583 - 9591, View in Reaxys 35 of 90

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Original Text (NMR Spectroscopy)

Comment (NMR Spectroscopy)

Signals given

(CDCl3) δ 2.15 (s, 3H), 3.70 (s, 2H), 7.20-7.36 (m, 5H).

Patent; THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES; WO2008/22038; (2008); (A1) English, View in Reaxys 36 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 942, View in Reaxys; Hamilakis, Stylianos; Tsolomitis, Athanase; Heterocyclic Communications; vol. 11; nb. 2; (2005); p. 149 - 152, View in Reaxys; Jozwiak, Krzysztof; Khalid, Chakir; Tanga, Mary J.; Berzetei-Gurske, Ilona;

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Jimenez, Lucita; Kozocas, Joseph A.; Woo, Anthony; Zhu, Weizhong; Xiao, Rui-Ping; Abernethy, Darrell R.; Wainer, Irving W.; Journal of Medicinal Chemistry; vol. 50; nb. 12; (2007); p. 2903 - 2915, View in Reaxys; Battace, Ahmed; Feuerstein, Marie; Lemhadri, Mhamed; Zair, Touriya; Doucet, Henri; Santelli, Maurice; European Journal of Organic Chemistry; nb. 19; (2007); p. 3122 - 3132, View in Reaxys; Tellitu, Imanol; Dominguez, Esther; Tetrahedron; vol. 64; nb. 10; (2008); p. 2465 - 2470, View in Reaxys 37 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

300

Tellitu, Imanol; Dominguez, Esther; Tetrahedron; vol. 64; nb. 10; (2008); p. 2465 - 2470, View in Reaxys 38 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Varma, Rajender S.; Varma, Manju; Kabalka, George W.; Synthetic Communications; vol. 16; nb. 1; (1986); p. 91 96, View in Reaxys; Hong, Jong Eoun; Shin, Won Suk; Jang, Won Bum; Oh, Dong Young; Journal of Organic Chemistry; vol. 61; nb. 6; (1996); p. 2199 - 2201, View in Reaxys; Tellitu, Imanol; Dominguez, Esther; Tetrahedron; vol. 64; nb. 10; (2008); p. 2465 - 2470, View in Reaxys 39 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Tellitu, Imanol; Dominguez, Esther; Tetrahedron; vol. 64; nb. 10; (2008); p. 2465 - 2470, View in Reaxys 40 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 3522, View in Reaxys 41 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Su, Weiping; Raders, Steven; Verkade, John G.; Liao, Xuebin; Hartwig, John F.; Angewandte Chemie - International Edition; vol. 45; nb. 35; (2006); p. 5852 - 5855, View in Reaxys; Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 - 3522, View in Reaxys; Tandon, Praveen K.; Srivastava, Manish; Singh, Santosh B.; Singh, Satpal; Synthetic Communications; vol. 38; nb. 13; (2008); p. 2125 - 2137, View in Reaxys

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42 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Viswanathan, Rajesh; Prabhakaran, Erode N.; Plotkin, Michael A.; Johnston, Jeffrey N.; Journal of the American Chemical Society; vol. 125; nb. 1; (2003); p. 163 - 168, View in Reaxys; Tran, Khanh-Van; Bickar, David; Journal of Organic Chemistry; vol. 71; nb. 17; (2006); p. 6640 - 6643, View in Reaxys; Mitsudome, Takato; Umetani, Takuya; Nosaka, Naoya; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Angewandte Chemie - International Edition; vol. 45; nb. 3; (2006); p. 481 - 485, View in Reaxys; He, Zhi; Yudin, Andrei K.; Organic Letters; vol. 8; nb. 25; (2006); p. 5829 - 5832, View in Reaxys; Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 - 3522, View in Reaxys; Zimbron, Jeremy Malcolm; SeegerWeibel, Manuela; Hirt, Hans; Gallou, Fabrice; Synthesis; nb. 8; (2008); p. 1221 - 1226, View in Reaxys 43 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Viswanathan, Rajesh; Prabhakaran, Erode N.; Plotkin, Michael A.; Johnston, Jeffrey N.; Journal of the American Chemical Society; vol. 125; nb. 1; (2003); p. 163 - 168, View in Reaxys; Tran, Khanh-Van; Bickar, David; Journal of Organic Chemistry; vol. 71; nb. 17; (2006); p. 6640 - 6643, View in Reaxys; Mitsudome, Takato; Umetani, Takuya; Nosaka, Naoya; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi; Angewandte Chemie - International Edition; vol. 45; nb. 3; (2006); p. 481 - 485, View in Reaxys; He, Zhi; Yudin, Andrei K.; Organic Letters; vol. 8; nb. 25; (2006); p. 5829 - 5832, View in Reaxys; Su, Weiping; Raders, Steven; Verkade, John G.; Liao, Xuebin; Hartwig, John F.; Angewandte Chemie - International Edition; vol. 45; nb. 35; (2006); p. 5852 - 5855, View in Reaxys; Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 - 3522, View in Reaxys; Zimbron, Jeremy Malcolm; Seeger-Weibel, Manuela; Hirt, Hans; Gallou, Fabrice; Synthesis; nb. 8; (2008); p. 1221 - 1226, View in Reaxys 44 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- D2O; acetonitrile scopy) Hawkins, Michael J.; Powell, Eugene T.; Leo, Gregory C.; Gauthier, Diane A.; Greco, Michael N.; Maryanoff, Bruce; Organic Letters; vol. 8; nb. 16; (2006); p. 3429 - 3431, View in Reaxys 45 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy)

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Frequency (NMR Spectroscopy) [MHz]

100.6

Su, Weiping; Raders, Steven; Verkade, John G.; Liao, Xuebin; Hartwig, John F.; Angewandte Chemie - International Edition; vol. 45; nb. 35; (2006); p. 5852 - 5855, View in Reaxys 47 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

100.6

Su, Weiping; Raders, Steven; Verkade, John G.; Liao, Xuebin; Hartwig, John F.; Angewandte Chemie - International Edition; vol. 45; nb. 35; (2006); p. 5852 - 5855, View in Reaxys 48 of 90

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Choi, Han Young; Chi, Dae Yoon; Organic Letters; vol. 5; nb. 4; (2003); p. 411 - 414, View in Reaxys; Najera, Francisco; Garcia-Segura, Rafael; Perez-Inestrosa, Ezequiel; Sanchez-Sanchez, Cristobal; Suau, Rafael; Photochemistry and Photobiology; vol. 82; nb. 1; (2006); p. 248 - 253, View in Reaxys 50 of 90

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Original Text (NMR Spectroscopy)

1H NMR (500 MHz, CDC13) : 8 7.36 (t, J = 7. lHz, 2H), 7.30 (t, J = 7.3Hz, 1H), 7.24 (d, J = 7.3Hz, 2H), 3.72 (s, 2H), 2.18 (s, 3H).

Comment (NMR Spectroscopy)

Signals given

Patent; MERCK and CO., INC.; WO2005/27837; (2005); (A2) English, View in Reaxys 51 of 90

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

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Original Text (NMR Spectroscopy)

1H NMR (500 MHz, CDC13) : 8 7.36 (t, J = 7. 1Hz, 2H), 7.30 (t, J = 7.3Hz, 1H), 7. 24 (d, J = 7.3Hz, 2H), 3.72 (s, 2H), 2. 18 (s, 3H).

Comment (NMR Spectroscopy)

Signals given

Patent; MERCK and CO., INC.; WO2005/44785; (2005); (A1) English, View in Reaxys 52 of 90

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Original Text (NMR Spectroscopy)

1H NMR (500 MHz, CDC13) : 6 7.36 (t, J =7. 1HZ, 2H), 7.30 (t, J = 7. 3Hz, 1H), 7.24 (d, J = 7. 3Hz, 2H), 3.72 (s, 2H), 2.18 (s, 3H).

Comment (NMR Spectroscopy)

Signals given

Patent; MERCK and CO., INC.; WO2004/48317; (2004); (A1) English, View in Reaxys 53 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectroscopy) [MHz]

400.1

Ley, Steven V.; Mitchell, Claire; Pears, David; Ramarao, Chandrashekar; Yu, Jin-Quan; Zhou, Wuzong; Organic Letters; vol. 5; nb. 24; (2003); p. 4665 - 4668, View in Reaxys 54 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

Choi, Han Young; Chi, Dae Yoon; Organic Letters; vol. 5; nb. 4; (2003); p. 411 - 414, View in Reaxys 55 of 90

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

500

Original Text (NMR Spectroscopy)

1H NMR (500 MHz, CDC13) : 6 7.36 (t, J =7. 1Hz, 2H), 7.30 (t, J = 7. 3Hz, 1H), 7.24 (d, J = 7. 3Hz, 2H), 3.72 (s, 2H), 2.18 (s, 3H).

Comment (NMR Spectroscopy)

Signals given

Patent; MERCK and CO., INC.; WO2003/87037; (2003); (A1) English, View in Reaxys 56 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy)

37/100

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Frequency (NMR Spectroscopy) [MHz]

500

Li, Yanjun; Izumi, Taeko; Journal of the Chinese Chemical Society (Taipei, Taiwan); vol. 49; nb. 4; (2002); p. 505 508, View in Reaxys 57 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

300.4

Shimada, Tomohiro; Yamamoto, Yoshinori; Journal of the American Chemical Society; vol. 124; nb. 43; (2002); p. 12670 - 12671, View in Reaxys 58 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

75.45

Shimada, Tomohiro; Yamamoto, Yoshinori; Journal of the American Chemical Society; vol. 124; nb. 43; (2002); p. 12670 - 12671, View in Reaxys 59 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Katritzky, Alan R.; Yang, Zhijun; Lam, Jamshed N.; Journal of Organic Chemistry; vol. 56; nb. 24; (1991); p. 6917 - 6923, View in Reaxys; Fujitsu, Hiroshi; Matsumura, Eiichi; Takeshita, Kenjiro; Mochida, Isao; Journal of Organic Chemistry; vol. 46; (1981); p. 5353 - 5357, View in Reaxys; Kijima, Masashi; Yamashita, Hiroshi; Kainosho, Masatsune; Sato, Takeo; Journal of Organic Chemistry; vol. 59; nb. 22; (1994); p. 6748 - 6752, View in Reaxys; Carter, James F.; Titterton, Emma L.; Grant, Helen; Sleeman, Richard; Chemical Communications; nb. 21; (2002); p. 2590 - 2591, View in Reaxys 60 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 942, View in Reaxys 61 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Temperature (NMR Spectroscopy) [°C]

29.84

Frequency (NMR Spectroscopy) [MHz]

75.469

Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 942, View in Reaxys 62 of 90

Description (NMR Spec- Chemical shifts troscopy)

38/100

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Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 942, View in Reaxys 63 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Keinan, E.; Perez, D.; Sahai, M.; Shvily, R.; Journal of Organic Chemistry; vol. 55; nb. 9; (1990); p. 2927 - 2938, View in Reaxys; Dave, Vinod; Warnhoff, E. W.; Journal of Organic Chemistry; vol. 48; nb. 15; (1983); p. 2590 - 2598, View in Reaxys; Baldwin, Jack E.; Adlington, Robert M.; Bottaro, Jeffrey C.; Kolhe, Jayant N.; Perry, Matthew W. D.; Jain, Ashok U.; Tetrahedron; vol. 42; nb. 15; (1986); p. 4223 - 4234, View in Reaxys; Inaba, Shin-ichi; Rieke, Reuben D.; Journal of Organic Chemistry; vol. 50; nb. 9; (1985); p. 1373 - 1381, View in Reaxys; Chikashita, H.; Morita, Y.; Itoh, K.; Synthetic Communications; vol. 17; nb. 6; (1987); p. 677 - 684, View in Reaxys; Varma, Rajender S.; Varma, Manju; Kabalka, George W.; Synthetic Communications; vol. 16; nb. 1; (1986); p. 91 - 96, View in Reaxys; Snowden, Roger L.; Helvetica Chimica Acta; vol. 66; nb. 4; (1983); p. 1031 - 1038, View in Reaxys; Nakazawa, Hidetsugu; Kumagai, Hidehiko; Yamada, Hideaki; Agricultural and Biological Chemistry; vol. 49; nb. 1; (1985); p. 159 - 166, View in Reaxys; Sera, Akira; Fukumoto, Shoji; Yoneda, Takako; Yamada, Hiroaki; Heterocycles; vol. 24; nb. 3; (1986); p. 697 - 702, View in Reaxys; Kijima, Masashi; Yamashita, Hiroshi; Kainosho, Masatsune; Sato, Takeo; Journal of Organic Chemistry; vol. 59; nb. 22; (1994); p. 6748 - 6752, View in Reaxys; Hong, Jong Eoun; Shin, Won Suk; Jang, Won Bum; Oh, Dong Young; Journal of Organic Chemistry; vol. 61; nb. 6; (1996); p. 2199 - 2201, View in Reaxys; Ellames, George J; Gibson, Jennifer S; Herbert, John M; McNeill, Alan H; Tetrahedron; vol. 57; nb. 46; (2001); p. 9487 - 9497, View in Reaxys 64 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Katritzky, Alan R.; Yang, Zhijun; Lam, Jamshed N.; Journal of Organic Chemistry; vol. 56; nb. 24; (1991); p. 6917 - 6923, View in Reaxys; Elliott, I. Wesley; Sloan, Milton J.; Tate, Earl; Tetrahedron; vol. 52; nb. 24; (1996); p. 8063 - 8072, View in Reaxys 65 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CCl4 scopy) Kumari, L. Krishna; Pardhasaradhi, M.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 21; nb. 12; (1982); p. 1067 - 1070, View in Reaxys; Artaud, I.; Torossian, G.; Viout, P.; Tetrahedron; vol. 41; nb. 21; (1985); p. 5031 - 5038, View in Reaxys; Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 3579, View in Reaxys; Murahashi; Naota; Synthesis; nb. 4; (1993); p. 433 - 440, View in Reaxys; Kosugi, Masanori; Hagiwara, Isao; Sumiya, Takao; Migita, Toshihiko; Bulletin of the Chemical Society of Japan; vol. 57; nb. 1; (1984); p. 241 - 246, View in Reaxys; Kosugi; Miyajima; Nakanishi; Sano; Migita; Bulletin of the Chemical Society of Japan; vol. 62; nb. 10; (1989); p. 3383 - 3385, View in Reaxys 66 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]

39/100

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Eldin, Sherif; Whalen, Dale L.; Pollack, Ralph M.; Journal of Organic Chemistry; vol. 58; nb. 13; (1993); p. 3490 3495, View in Reaxys 67 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide scopy) Temperature (NMR Spectroscopy) [°C]

Eldin, Sherif; Whalen, Dale L.; Pollack, Ralph M.; Journal of Organic Chemistry; vol. 58; nb. 13; (1993); p. 3490 3495, View in Reaxys 68 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- benzene-d6 scopy) Temperature (NMR Spectroscopy) [°C]

Zielinski, W.; Mazik, M.; Polish Journal of Chemistry; vol. 66; nb. 4; (1992); p. 661 - 668, View in Reaxys 69 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- tetradeuteriomethanol scopy) Temperature (NMR Spectroscopy) [°C]

Zielinski, W.; Mazik, M.; Polish Journal of Chemistry; vol. 66; nb. 4; (1992); p. 661 - 668, View in Reaxys 70 of 90

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- benzene-d6 scopy) Comment (NMR Spectroscopy)

1H-1H

Penner, Glenn H.; Canadian Journal of Chemistry; vol. 65; (1987); p. 538 - 540, View in Reaxys 71 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- acetone-d6 scopy) Temperature (NMR Spectroscopy) [°C]

25 - 30

Krivdin, L. B.; Shcherbakov, V. V.; Kalabin, G. A.; Journal of Organic Chemistry USSR (English Translation); (1986); p. 300 - 305; Zhurnal Organicheskoi Khimii; vol. 22; nb. 2; (1986); p. 342 - 348, View in Reaxys 72 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

40/100

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Solvents (NMR Spectro- dimethylsulfoxide scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 73 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- acetone-d6 scopy) Temperature (NMR Spectroscopy) [°C]

25 - 30

Comment (NMR Spectroscopy)

13C-13C.

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Comment (NMR Spectroscopy)

1H-1H.

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 76 of 90

Description (NMR Spec- NMR with shift reagents troscopy) Krivdin, L. B.; Shcherbakov, V. V.; Kalabin, G. A.; Journal of Organic Chemistry USSR (English Translation); (1986); p. 300 - 305; Zhurnal Organicheskoi Khimii; vol. 22; nb. 2; (1986); p. 342 - 348, View in Reaxys

77 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- acetone-d6 scopy) Mourad, M. Soubei; Varma, Rajender S.; Kabalka, George W.; Synthesis; nb. 6/7; (1985); p. 654 - 656, View in Reaxys 78 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- benzene-d6 scopy) Laeufer, Martina; Dreeskamp, Herbert; Journal of Magnetic Resonance (1969-1992); vol. 60; nb. 3; (1984); p. 357 - 365, View in Reaxys 79 of 90

Description (NMR Spec- Spin-spin coupling constants troscopy)

41/100

2016-03-05 02:04:53

Comment (NMR Spectroscopy)

13C-13C

Krivdin, Leonid B.; Kalabin, Gennady A.; Nesterenko, Raisa N.; Trofimov, Boris A.; Tetrahedron Letters; vol. 25; nb. 42; (1984); p. 4817 - 4820, View in Reaxys 80 of 90

Description (NMR Spec- CIDNP troscopy) Benn; Dreeskamp; Zeitschrift fuer Physikalische Chemie (Muenchen, Germany); vol. 101; (1976); p. 11,19, View in Reaxys; Yankelevich, A. Z.; Buchachenko, A. L.; Potapov, V. K.; Pershin, A. D.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 32; nb. 5; (1983); p. 927 - 934; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 5; (1983); p. 1024 - 1032, View in Reaxys

81 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CD3CN scopy) Yankelevich, A. Z.; Buchachenko, A. L.; Potapov, V. K.; Pershin, A. D.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 32; nb. 5; (1983); p. 927 - 934; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 5; (1983); p. 1024 - 1032, View in Reaxys 82 of 90

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- CD3CN; acetonitrile scopy) Yankelevich, A. Z.; Buchachenko, A. L.; Potapov, V. K.; Pershin, A. D.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 32; nb. 5; (1983); p. 927 - 934; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 5; (1983); p. 1024 - 1032, View in Reaxys 83 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- hexamethylphosphoric acid triamide scopy) Vogt, Hans-Hubert; Gompper, Rudolf; Chemische Berichte; vol. 114; nb. 8; (1981); p. 2884 - 2897, View in Reaxys

42/100

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86 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CH2Cl2 scopy) Temperature (NMR Spectroscopy) [°C]

-15 - 65

Gasparini, J.P.; Gassend, R.; Maire, J.C.; Elguero, J.; Journal of Organometallic Chemistry; vol. 208; nb. 3; (1981); p. 309 - 315, View in Reaxys 87 of 90

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Bradamante, Silvia; Pagani, Giorgio A.; Journal of Organic Chemistry; vol. 45; nb. 1; (1980); p. 105 - 114, View in Reaxys 88 of 90

Description (NMR Spec- NMR troscopy) Adcock,W. et al.; Australian Journal of Chemistry; vol. 23; (1970); p. 1921 - 1937, View in Reaxys; Nadon,L. et al.; Canadian Journal of Chemistry; vol. 51; (1973); p. 2366 - 2374, View in Reaxys; Hill,A.E.; Hoffmann,H.M.R.; Journal of the American Chemical Society; vol. 96; (1974); p. 4597 - 4603, View in Reaxys; Blatcher,P.; Warren,S.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1979); p. 1074 1088, View in Reaxys; Corey,E.J.; Shulman,J.I.; Journal of Organic Chemistry; vol. 35; nb. 3; (1970); p. 777 - 780, View in Reaxys; Uijttewaal,A.P. et al.; Journal of Organic Chemistry; vol. 44; (1979); p. 3157 - 3168, View in Reaxys; Goszczynski,S. et al.; Polish Journal of Chemistry; vol. 53; (1979); p. 849 - 853, View in Reaxys; Yalpani,M.; Modarai,B.; Khoshdel,E.; Organic Magnetic Resonance; vol. 12; (1979); p. 254, View in Reaxys; Cassend et al.; Journal of Organometallic Chemistry; vol. 141; (1977); p. 49,53,54,55, View in Reaxys; Birch et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1973); p. 1882,1891, View in Reaxys; Crow; Gosney; Tetrahedron; vol. 26; (1970); p. 1463,1473, View in Reaxys; Adcock et al.; Journal of Organic Chemistry; vol. 41; (1976); p. 1498,1501, View in Reaxys; Hassner et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 1672,1674, View in Reaxys; Pascal; Annales de Chimie (Cachan, France); vol. 3; nb. 14; (1968); p. 247,272, View in Reaxys; Gaudry; Marquet; Bulletin de la Societe Chimique de France; (1969); p. 4169,4175, View in Reaxys; Bradamante; Pagani; Journal of Organic Chemistry; vol. 44; (1979); p. 4735, View in Reaxys; Kupin; Zhurnal Organicheskoi Khimii; vol. 1; (1965); p. 1206,1217, View in Reaxys; Singh; Kagan; Journal of Organic Chemistry; vol. 35; (1970); p. 3839,3842, View in Reaxys; Gates; Mooney; Journal of Inorganic and Nuclear Chemistry; vol. 30; (1968); p. 839,842,844-846, View in Reaxys; Blair; Tate; Journal of the Chemical Society [Section] C: Organic; (1971); p. 1592, View in Reaxys; Bubb; Sternhell; Australian Journal of Chemistry; vol. 29; (1976); p. 1685,1688,1694, View in Reaxys; Zielinski; Polish Journal of Chemistry; vol. 52; (1978); p. 2233, View in Reaxys; Stille; Lau; Journal of the American Chemical Society; vol. 98; (1976); p. 5841,5847, View in Reaxys; Lichtenberg; Wojcicki; Journal of Organometallic Chemistry; vol. 94; (1975); p. 311,322, View in Reaxys; Paul et al.; Organic Preparations and Procedures International; vol. 7; (1975); p. 149,151, 153, View in Reaxys; Bunnett; Sundberg; Chemical and Pharmaceutical Bulletin; vol. 23; (1975); p. 2620,2621, 2623-2626, View in Reaxys; Jaeckel; Hanack; Chemische Berichte; vol. 110; (1977); p. 199,207, View in Reaxys; Glover; Raaen; Journal of Organic Chemistry; vol. 31; (1966); p. 1987, View in Reaxys; Ridley et al.; Australian Journal of Chemistry; vol. 23; (1970); p. 147,164,179, View in Reaxys; Milstein; Journal of Heterocyclic Chemistry; vol. 5; (1968); p. 339, View in Reaxys; Partchamazad et al.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 266; (1968); p. 717, View in Reaxys; Levy; Winstein; Journal of the American Chemical Society; vol. 90; (1968); p. 3574, View in Reaxys

89 of 90

Description (NMR Spec- Chemical shifts troscopy) Comment (NMR Spectroscopy)

13C-chem. Versch.

Hawkes,G.E. et al.; Journal of Organic Chemistry; vol. 39; (1974); p. 1017 - 1028, View in Reaxys 90 of 90

Description (NMR Spec- Spectrum troscopy) Kupin; Petrov; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 975,937, View in Reaxys

IR Spectroscopy (22)

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1 of 22

Description (IR Spectroscopy)

Bands

Original Text (IR Spectroscopy)

IR (film, cm-1): ν 1713

Comment (IR Spectroscopy)

film

Signals [cm-1]

1713

Zhu, Min; Zhao, Yang; Chinese Chemical Letters; vol. 26; nb. 2; (2015); p. 248 - 250, View in Reaxys 2 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

dichloromethane

Location

supporting information

Yoshimura, Akira; Nguyen, Khiem C.; Klasen, Scott C.; Saito, Akio; Nemykin, Victor N.; Zhdankin, Viktor V.; Chemical Communications; vol. 51; nb. 37; (2015); p. 7835 - 7838, View in Reaxys 3 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Location

supporting information

Wang, Zhi-Ming; Sang, Xue-Ling; Che, Chi-Ming; Chen, Jian; Tetrahedron Letters; vol. 55; nb. 10; (2014); p. 1736 - 1739, View in Reaxys 4 of 22

Description (IR Spectroscopy)

Bands; Spectrum

Location

supporting information

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Location

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys 6 of 22

Description (IR Spectroscopy)

Bands

Location

supporting information

Purohit, Vikram C.; Allwein, Shawn P.; Bakale, Roger P.; Organic Letters; vol. 15; nb. 7; (2013); p. 1650 - 1653, View in Reaxys 7 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat liquid; sodium chloride

Location

supporting information

Comment (IR Spectroscopy)

film

Li, Pengbin; Lue, Bo; Fu, Chunling; Ma, Shengming; Advanced Synthesis and Catalysis; vol. 355; nb. 7; (2013); p. 1255 - 1259, View in Reaxys 8 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

film

44/100

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Hayes, Jerome F.; Shipman, Michael; Twin, Heather; Journal of Organic Chemistry; vol. 67; nb. 3; (2002); p. 935 942, View in Reaxys; Viswanathan, Rajesh; Prabhakaran, Erode N.; Plotkin, Michael A.; Johnston, Jeffrey N.; Journal of the American Chemical Society; vol. 125; nb. 1; (2003); p. 163 - 168, View in Reaxys; Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 - 3522, View in Reaxys 9 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Shimada, Tomohiro; Yamamoto, Yoshinori; Journal of the American Chemical Society; vol. 124; nb. 43; (2002); p. 12670 - 12671, View in Reaxys; Hamilakis, Stylianos; Tsolomitis, Athanase; Heterocyclic Communications; vol. 11; nb. 2; (2005); p. 149 - 152, View in Reaxys 10 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

1710 cm**(-1)

Murahashi; Naota; Synthesis; nb. 4; (1993); p. 433 - 440, View in Reaxys 11 of 22

Description (IR Spectroscopy)

Bands

Temperature (IR Spectroscopy) [°C]

Comment (IR Spectroscopy)

1720 cm**(-1)

Antonovskii, V. L.; Fedorova, E. V.; Kislina, I. S.; Shtivel', N. E.; Emelin, Yu. D.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 39; nb. 11; (1990); p. 2261 - 2265; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 11; (1990); p. 2501 - 2506, View in Reaxys 12 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1713 - 699 cm**(-1)

Baldwin, Jack E.; Adlington, Robert M.; Bottaro, Jeffrey C.; Kolhe, Jayant N.; Perry, Matthew W. D.; Jain, Ashok U.; Tetrahedron; vol. 42; nb. 15; (1986); p. 4223 - 4234, View in Reaxys 13 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1720 cm**(-1)

Zielinski, Wojciech; Polish Journal of Chemistry; vol. 54; nb. 4; (1980); p. 745 - 754, View in Reaxys; Sera, Akira; Fukumoto, Shoji; Yoneda, Takako; Yamada, Hiroaki; Heterocycles; vol. 24; nb. 3; (1986); p. 697 - 702, View in Reaxys 14 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1710 cm**(-1)

Inaba, Shin-ichi; Rieke, Reuben D.; Journal of Organic Chemistry; vol. 50; nb. 9; (1985); p. 1373 - 1381, View in Reaxys

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15 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvent(s)

Comment (IR Spectroscopy)

1600 - 720 cm**(-1)

Skulski, Lech; Przybylowicz, Jaroslaw; Bulletin of the Polish Academy of Sciences, Chemistry; vol. 32; nb. 11-12; (1984); p. 483 - 499, View in Reaxys 16 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

1725 cm**(-1)

Dave, Vinod; Warnhoff, E. W.; Journal of Organic Chemistry; vol. 48; nb. 15; (1983); p. 2590 - 2598, View in Reaxys 17 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CDCl3

Comment (IR Spectroscopy)

3040 - 700 cm**(-1)

Snowden, Roger L.; Helvetica Chimica Acta; vol. 66; nb. 4; (1983); p. 1031 - 1038, View in Reaxys 18 of 22

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

1705 cm**(-1)

Tamura, Yasumitsu; Choi, Hong Dae; Mizutani, Masako; Ueda, Yuko; Ishibashi, Hiroyuki; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 10; (1982); p. 3574 - 3579, View in Reaxys 19 of 22

Description (IR Spectroscopy)

Adcock,W. et al.; Australian Journal of Chemistry; vol. 23; (1970); p. 1921 - 1937, View in Reaxys; Fedoronko,M.; Collection of Czechoslovak Chemical Communications; vol. 37; (1972); p. 3897 - 3901, View in Reaxys; Blatcher,P.; Warren,S.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1979); p. 1074 - 1088, View in Reaxys; Goszczynski,S. et al.; Polish Journal of Chemistry; vol. 53; (1979); p. 849 853, View in Reaxys; Crow; Gosney; Tetrahedron; vol. 26; (1970); p. 1463,1473, View in Reaxys; Rentea et al.; Tetrahedron; vol. 22; (1966); p. 3501,3503, View in Reaxys; House et al.; Journal of the American Chemical Society; vol. 82; (1960); p. 4099,4104, View in Reaxys; Katritzky et al.; Tetrahedron; vol. 28; (1972); p. 3449,3451, 3453,3456,3463, View in Reaxys; Gates; Mooney; Journal of Inorganic and Nuclear Chemistry; vol. 30; (1968); p. 839,842,844-846, View in Reaxys; Darre et al.; Bulletin de la Societe Chimique de France; (1975); p. 829, View in Reaxys; Blair; Tate; Journal of the Chemical Society [Section] C: Organic; (1971); p. 1592, View in Reaxys; Bubb; Sternhell; Australian Journal of Chemistry; vol. 29; (1976); p. 1685,1688,1694, View in Reaxys; Price et al.; Analytical Chemistry; vol. 39; (1967); p. 138, View in Reaxys; Mondeshka; Angelova; Revue Roumaine de Chimie; vol. 19; (1974); p. 1759,1765, View in Reaxys; Zielinski; Polish Journal of Chemistry; vol. 52; (1978); p. 2233, View in Reaxys; Lichtenberg; Wojcicki; Journal of Organometallic Chemistry; vol. 94; (1975); p. 311,322, View in Reaxys; Jaeckel; Hanack; Chemische Berichte; vol. 110; (1977); p. 199,207, View in Reaxys 20 of 22

Description (IR Spectroscopy)

Bands

Oishi,T. et al.; Chemical and Pharmaceutical Bulletin; vol. 17; (1969); p. 2314 - 2318, View in Reaxys; Mecke,R.; Noack,K.; Chemische Berichte; vol. 93; (1960); p. 210 - 225, View in Reaxys; Truce; Norell; Journal of the American Chemical Society; vol. 85; (1963); p. 3236, View in Reaxys; Michell; Australian Journal of Chemistry; vol. 19; (1966); p. 2285,2288, View in Reaxys 21 of 22

Description (IR Spectroscopy)

Spectrum

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Yates et al.; Canadian Journal of Chemistry; vol. 39; (1961); p. 1977, View in Reaxys; Kupin; Petrow; J. Gen. Chem. USSR (Engl. Transl.); vol. 31; (1961); p. 2958,2758; Chem.Abstr.; vol. 57; nb. 2125; (1962), View in Reaxys; Kupin; Petrov; Zhurnal Organicheskoi Khimii; vol. 3; (1967); p. 975,937, View in Reaxys 22 of 22

Description (IR Spectroscopy)

Intensity of IR bands

Comment (IR Spectroscopy)

Intensitaet und Halbwertsbreite der CO-Valenzschwingungsbande bei 1709 cmE-1 (CHCl3).

Thompson et al.; Spectrochimica Acta; vol. 9; (1957); p. 208,210, View in Reaxys Mass Spectrometry (18) Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

electron impact (EI); spectrum

Peak

References

134 m/z

Zhu, Min; Zhao, Yang; Chinese Chemical Letters; vol. 26; nb. 2; (2015); p. 248 - 250, View in Reaxys

gas chromatogra- Paragraph 00212 phy mass spectrometry (GCMS); spectrum

Patent; SUNOVION PHARMACEUTICALS INC.; NEWCOM, Jason, S.; SPEAR, Kerry, L.; WO2015/88565; (2015); (A1) English, View in Reaxys

electrospray ioni- supporting inforsation (ESI); specmation trum

Wang, Zhi-Ming; Sang, Xue-Ling; Che, ChiMing; Chen, Jian; Tetrahedron Letters; vol. 55; nb. 10; (2014); p. 1736 - 1739, View in Reaxys

electron impact (EI); spectrum

Striegel; Mayer; Wiegrebe; Schlunegger; Siegrist; Aebi; Archiv der Pharmazie; vol. 325; nb. 12; (1992); p. 751 - 760, View in Reaxys; Srinivasan, K.; Michaud, P.; Kochi, J. K.; Journal of the American Chemical Society; vol. 108; nb. 9; (1986); p. 2309 - 2320, View in Reaxys; Pinalli, Roberta; Barboza, Tahnee; Bianchi, Federica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico; Supramolecular Chemistry; vol. 25; nb. 9-11; (2013); p. 682 - 687, View in Reaxys

electrospray ionisation (ESI); high resolution mass spectrometry (HRMS); spectrum

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys

gas chromatogra- supporting inforphy mass specmation trometry (GCMS); spectrum

Purohit, Vikram C.; Allwein, Shawn P.; Bakale, Roger P.; Organic Letters; vol. 15; nb. 7; (2013); p. 1650 - 1653, View in Reaxys

electron impact (EI); spectrum

supporting information

Li, Pengbin; Lue, Bo; Fu, Chunling; Ma, Shengming; Advanced Synthesis and Catalysis; vol. 355; nb. 7; (2013); p. 1255 - 1259, View in Reaxys

HRMS (High reso- supporting inforlution mass specmation trometry); EI (Electron impact); Spectrum

Yonehara, Mitsuhiro; Nakamura, Shinji; Muranaka, Atsuya; Uchiyama, Masanobu; Chemistry - An Asian Journal; vol. 5; nb. 3; (2010); p. 452 455, View in Reaxys

CI (Chemical ioni- supporting inforzation); GCMS mation (Gas chromatography mass spectrometry); Spectrum

Agrawal, Manoj K.; Ghosh, Pushpito K.; Journal of Organic Chemistry; vol. 74; nb. 20; (2009); p. 7947 - 7950, View in Reaxys

LCMS (Liquid chromatography mass spectrometry)

Molecular peak

Patent; MERCK and CO., INC.; WO2005/27837; (2005); (A2) English, View in Reaxys; Patent; MERCK and CO., INC.; WO2003/87037; (2003); (A1) English, View in Reaxys; Patent; MERCK and CO., INC.; WO2004/48317; (2004); (A1) Eng-

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lish, View in Reaxys; Patent; MERCK and CO., INC.; WO2005/44785; (2005); (A1) English, View in Reaxys spectrum; electron impact (EI)

Hong, Jong Eoun; Shin, Won Suk; Jang, Won Bum; Oh, Dong Young; Journal of Organic Chemistry; vol. 61; nb. 6; (1996); p. 2199 - 2201, View in Reaxys; Yusubov; Filimonov; Chi, KiWhan; Russian Chemical Bulletin; vol. 50; nb. 4; (2001); p. 649 - 653, View in Reaxys

spectrum; chemical ionization (CI)

Pakarinen, Jaana M. H.; Vainiotalo, Pirjo; Journal of Mass Spectrometry; vol. 31; nb. 9; (1996); p. 1003 - 1010, View in Reaxys

spectrum

collisional activation

Downard, Kevin M.; Hayes, Roger N.; Bowie, John H.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 10; (1992); p. 1815 - 1819, View in Reaxys

electron impact (EI)

Baldwin, Jack E.; Adlington, Robert M.; Bottaro, Jeffrey C.; Kolhe, Jayant N.; Perry, Matthew W. D.; Jain, Ashok U.; Tetrahedron; vol. 42; nb. 15; (1986); p. 4223 - 4234, View in Reaxys

spectrum

Audier, Henri E.; Milliet, Arielle; Denhez, JeanPierre; Bulletin de la Societe Chimique de France; vol. 2; nb. 7-8; (1983); p. 202 - 206, View in Reaxys; Snowden, Roger L.; Helvetica Chimica Acta; vol. 66; nb. 4; (1983); p. 1031 1038, View in Reaxys; Nakazawa, Hidetsugu; Kumagai, Hidehiko; Yamada, Hideaki; Agricultural and Biological Chemistry; vol. 49; nb. 1; (1985); p. 159 - 166, View in Reaxys

chemical ionization (CI); spectrum

MIKE (mass ion kinetic energy)

Audier, Henri-Edouard; Bouchoux, Guy; Milliet, Arielle; Denhez, Jean-Pierre; Maquestiau, Andre; Flammang, Robert; Journal of Chemical Research, Miniprint; nb. 3; (1982); p. 943 - 963, View in Reaxys

spectrum; chemical ionization (CI)

MIKE (mass ion kinetic energy)

Audier, Henri Edouard; Milliet, Arielle; Journal of Chemical Research, Miniprint; nb. 9; (1982); p. 2501 - 2514, View in Reaxys Hill,A.E.; Hoffmann,H.M.R.; Journal of the American Chemical Society; vol. 96; (1974); p. 4597 4603, View in Reaxys; Coutts; Jones; Liu; Biomedical Mass Spectrometry; vol. 5; nb. 6; (1978); p. 418 - 422, View in Reaxys; Kinlin et al.; Journal of Agricultural and Food Chemistry; vol. 20; (1972); p. 1021,1023, View in Reaxys; Lee et al.; Journal of Agricultural and Food Chemistry; vol. 23; (1975); p. 1195,1196, View in Reaxys; Mussinan; Walradt; Journal of Agricultural and Food Chemistry; vol. 22; (1974); p. 827,830, View in Reaxys; Migahed; Abd El-Kader; International Journal of Mass Spectrometry and Ion Physics; vol. 31; (1979); p. 373, View in Reaxys; Singh; Kagan; Journal of Organic Chemistry; vol. 35; (1970); p. 3839,3842, View in Reaxys; Hedin et al.; Journal of Agricultural and Food Chemistry; vol. 23; (1975); p. 698,701, View in Reaxys; Kikuchi et al.; Chemical and Pharmaceutical Bulletin; vol. 22; (1974); p. 1681,1683, 1684, View in Reaxys; McLafferty; Fairweather; Journal of the American Chemical Society; vol. 90; (1968); p. 5915, View in Reaxys

UV/VIS Spectroscopy (17) 1 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

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Absorption Maxima (UV/ 354 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

307

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ 180; 297; 305; 318 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

137; 124; 91; 38

Koppes, Margareth J. C. M.; Beentjes, Peter C. J.; Cerfontain, Hans; Recueil des Travaux Chimiques des PaysBas; vol. 107; nb. 4; (1988); p. 313 - 324, View in Reaxys 3 of 17

Description (UV/VIS Spectroscopy)

UV/VIS

Goszczynski,S. et al.; Polish Journal of Chemistry; vol. 53; (1979); p. 849 - 853, View in Reaxys; Decock et al.; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 273; (1971); p. 102, View in Reaxys; Katritzky et al.; Tetrahedron; vol. 28; (1972); p. 3449,3451, 3453,3456,3463, View in Reaxys; Vidal et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 30; (1974); p. 317, View in Reaxys; Ogata et al.; Tetrahedron; vol. 24; (1968); p. 1617,1620, View in Reaxys 4 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Gencarelli et al.; Journal of Organic Chemistry; vol. 35; (1970); p. 2673,2677, View in Reaxys; Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 832,834; ; p. 1584, View in Reaxys; Goszczynski; Zielinski; Zhurnal Organicheskoi Khimii; vol. 9; (1973); p. 2103,2119,2120, View in Reaxys; Mac Kenzie et al.; Journal of Organic Chemistry; vol. 28; (1963); p. 717, View in Reaxys 5 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Fedoronko,M.; Collection of Czechoslovak Chemical Communications; vol. 37; (1972); p. 3897 - 3901, View in Reaxys 6 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

aq. ethanol

Absorption Maxima (UV/ 282 VIS) [nm] Marsocci; MacKenzie; Journal of the American Chemical Society; vol. 81; (1959); p. 4513,4516, View in Reaxys 7 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ 285 VIS) [nm] Marsocci; MacKenzie; Journal of the American Chemical Society; vol. 81; (1959); p. 4513,4516, View in Reaxys 8 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethyl acetate

Absorption Maxima (UV/ 286 VIS) [nm]

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Marsocci; MacKenzie; Journal of the American Chemical Society; vol. 81; (1959); p. 4513,4516, View in Reaxys 9 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

acetonitrile

Absorption Maxima (UV/ 287 VIS) [nm] Marsocci; MacKenzie; Journal of the American Chemical Society; vol. 81; (1959); p. 4513,4516, View in Reaxys 10 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

CHCl3

Absorption Maxima (UV/ 287 VIS) [nm] Marsocci; MacKenzie; Journal of the American Chemical Society; vol. 81; (1959); p. 4513,4516, View in Reaxys 11 of 17

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ 289 VIS) [nm] Marsocci; MacKenzie; Journal of the American Chemical Society; vol. 81; (1959); p. 4513,4516, View in Reaxys 12 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

240 - 300 nm

Freeman; Journal of the American Pharmaceutical Association (1912-1977); vol. 42; (1953); p. 621, View in Reaxys 13 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

2,2,4-trimethyl-pentane

Comment (UV/VIS Spectroscopy)

240 - 300 nm

Freeman; Journal of the American Pharmaceutical Association (1912-1977); vol. 42; (1953); p. 621, View in Reaxys 14 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

diethyl ether

Comment (UV/VIS Spectroscopy)

250 - 320 nm

Temnikowa; Kropatschewa; Zhurnal Obshchei Khimii; vol. 22; (1952); p. 1150,1153; engl. Ausg. S. 1197, 1199, View in Reaxys 15 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Ramart-Lucas; Guilmart; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 229; (1949); p. 1336, View in Reaxys; Bruzau; Annales de Chimie (Cachan, France); vol. <11> 1; (1934); p. 257,276, View in Reaxys; Ley; Wingchen; Chemische Berichte; vol. 67; (1934); p. 501,502, View in Reaxys; Ramart-Lucas; Guerlain; Bulletin de la Societe Chimique de France; vol. <4> 49; (1931); p. 1860,1867, View in Reaxys; Biquard;

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Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys; Ramart-Lucas; Labaune; Annales de Chimie (Cachan, France); vol. <10> 16; (1931); p. 276,298, View in Reaxys; Kumler et al.; Journal of the American Chemical Society; vol. 72; (1950); p. 1463,1466, View in Reaxys 16 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

cyclohexane

Biquard; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys 17 of 17

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

hexane

Bruzau; Annales de Chimie (Cachan, France); vol. <11> 1; (1934); p. 257,276, View in Reaxys; Ramart-Lucas; Labaune; Annales de Chimie (Cachan, France); vol. <10> 16; (1931); p. 276,298, View in Reaxys Raman Spectroscopy (2) Description (Ram- Comment (Raman References an Spectroscopy) Spectroscopy) Spectrum

Biquard; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys; Kohlrausch; Pongratz; Monatshefte fuer Chemie; vol. 64; (1934); p. 374,382, View in Reaxys; Michel; Bulletin des Societes Chimiques Belges; vol. 72; (1963); p. 138, View in Reaxys

Raman intensities Intensitaet der CO-Raman-Banden bei 1721 cmE-1 und 1710 cmE-1.

Michel; Duyckaerts; Spectrochimica Acta; vol. 10; (1958); p. 259, View in Reaxys

Other Spectroscopic Methods (1) Description (Other References Spectroscopic Methods) Photoelectron spectrum

Centineo et al.; Journal of Molecular Structure; vol. 44; (1978); p. 203,204, View in Reaxys

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Adcock,W. et al.; Australian Journal of Chemistry; vol. 23; (1970); p. 1921 - 1937, View in Reaxys; Pross,A.; Sternhell,S.; Australian Journal of Chemistry; vol. 24; (1971); p. 1437 - 1447, View in Reaxys; Johnson,R.N.; Riggs,N.V.; Australian Journal of Chemistry; vol. 24; (1971); p. 1643 - 1658, View in Reaxys; Bubb,W.A.; Sternhell,S.; Australian Journal of Chemistry; vol. 29; (1976); p. 1685 - 1697, View in Reaxys; Adcock,W. et al.; Australian Journal of Chemistry; vol. 29; (1976); p. 2571 - 2581, View in Reaxys; Vuitel,L.; Jacot-Guillarmod,A.; Helvetica Chimica Acta; vol. 57; (1974); p. 1703 - 1713, View in Reaxys; Grob,C.A.; Rich,R.; Helvetica Chimica Acta; vol. 62; (1979); p. 2802 2816, View in Reaxys; Arnold,Z.; Holy,A.; Collection of Czechoslovak Chemical Communications; vol. 26; (1961); p. 3059 - 3073, View in Reaxys; Fedoronko,M.; Collection of Czechoslovak Chemical Communications; vol. 37; (1972); p. 3897 - 3901, View in Reaxys; Gindy,M.; Faltaous,M.S.; Monatshefte fuer Chemie; vol. 91; (1960); p. 523 - 528, View in Reaxys; Reinheckel,H.; Tauber,G.; Monatshefte fuer Chemie; vol. 98; (1967); p. 1944 - 1953, View in Reaxys; Horii; Inoi; Kim; Tamura; Suzuki; Matsumoto; Chemical and pharmaceutical bulletin; vol. 13; nb. 10; (1965); p. 1151 - 1159, View in Reaxys; Patent; Merck and Co., Inc.; US3956374; (1976); (A1) English, View in Reaxys; Oishi,T. et al.; Chemical and Pharmaceutical Bulletin; vol. 17; (1969); p. 2314 - 2318, View in Reaxys; Hara,A.; Sekiya,M.; Chemical and Pharmaceutical Bulletin; vol. 20; nb. 2; (1972); p. 309 - 313, View in Reaxys; Patent; Monsanto Company; US3968147; (1976); (A1) English, View in Reaxys; Itoh; Motohashi; Kuriki; Sugihara; Inatomi; Nishikawa; Oka; Chemical and Pharmaceutical Bulletin; vol. 25; nb. 11; (1977); p. 2917 - 2928, View in Reaxys; Itoh; Sugihara; Miyake; Tada; Oka; Chemical and Pharmaceutical Bulletin; vol. 26; nb. 2; (1978); p. 504 - 513, View in Reaxys; Patent; Abbott Laboratories; US3998971; (1976); (A1) English, View in Reaxys; Patent; A. H. Robins Company, Incorporated; US4101662; (1978); (A1) English, View in Reaxys; Micetich,R.G.; Canadian Journal of Chemistry; vol. 48; (1970); p. 2006 - 2015, View in Reaxys; Yates,P. et al.; Canadian Journal of Chemistry; vol. 49; (1971); p. 1456 - 1466, View in Reaxys; Patent; Serdex - Societe d'Etudes, de Recherches, de Diffusion et d'Exploitation; US4127661; (1978); (A1) English, View in Reaxys; Nadon,L. et al.; Canadian Journal of Chemistry; vol. 51; (1973); p. 2366 - 2374, View in Reaxys; Roehnert,H.; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 5; (1965); p. 302 - 304, View in Reaxys; Patent; The United States of America as represented by the Department of Health, Education and Welfare; US4201773; (1980); (A1) English, View in Reaxys; Patent; Pennwalt Corporation; US4210749; (1980); (A1) English, View in Reaxys; Jonczyk,A. et al.; Roczniki Chemii; vol. 45; (1971); p. 2097 - 2104, View in Reaxys; Jonczyk,A. et al.; Roczniki Chemii; vol. 48; (1974); p. 1713 - 1722,

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View in Reaxys; Mecke,R.; Noack,K.; Chemische Berichte; vol. 93; (1960); p. 210 - 225, View in Reaxys; Huettel,R. et al.; Chemische Berichte; vol. 93; (1960); p. 1433 - 1446, View in Reaxys; Ugi,I.; Steinbrueckner,C.; Chemische Berichte; vol. 94; (1961); p. 734 - 742, View in Reaxys; Huettel,R. et al.; Chemische Berichte; vol. 94; (1961); p. 766 - 780, View in Reaxys; Regitz,M.; Chemische Berichte; vol. 98; (1965); p. 1210 - 1224, View in Reaxys; Ried,W.; Freitag,D.; Chemische Berichte; vol. 101; (1968); p. 763 - 764, View in Reaxys; Patent; Schering Corporation; US4376769; (1983); (A1) English, View in Reaxys; Goerdeler,J. et al.; Chemische Berichte; vol. 107; (1974); p. 3518 - 3532, View in Reaxys; Boehme,H.; Plappert,P.; Chemische Berichte; vol. 108; (1975); p. 3574 - 3581, View in Reaxys; Jaeckel,K.-P.; Hanack,M.; Chemische Berichte; vol. 110; (1977); p. 199 - 207, View in Reaxys; Seybold,G.; Heibl,C.; Chemische Berichte; vol. 110; (1977); p. 1225 - 1238, View in Reaxys; Corey,E.J.; Enders,D.; Chemische Berichte; vol. 111; (1978); p. 1337 - 1361, View in Reaxys; Patent; Emery Industries, Inc.; US4252739; (1981); (A1) English, View in Reaxys; Patent; Hoechst Aktiengesellschaft; US4266066; (1981); (A1) English, View in Reaxys; Shvedov,V.I. et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 11; (1975); p. 1133 - 1136; Khimiya Geterotsiklicheskikh Soedinenii; vol. 11; (1975); p. 1324 - 1327, View in Reaxys; Semenov,V.P. et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 12; (1976); p. 1327 - 1331; Khimiya Geterotsiklicheskikh Soedinenii; vol. 12; (1976); p. 1613 - 1618, View in Reaxys; Kogan,N.A.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 13; (1977); p. 1061 - 1065; Khimiya Geterotsiklicheskikh Soedinenii; vol. 13; nb. 10; (1977); p. 1327 - 1331, View in Reaxys; Freifelder,M.; Hasbrouck,R.B.; Journal of the American Chemical Society; vol. 82; (1960); p. 696 - 698, View in Reaxys; Shiho,D.; 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Miesel, John L.; Fitzpatrick, Gina M.; Meyer, Kevin G.; Niyaz, Noormohamed M.; Morrison, Irene M.; Gajewski, Robert P.; EP1516874; (2015); (B1) English, View in Reaxys; Xu, You-Yao; Lu, Hao; Wang, Xin; Zhang, Ke-Qin; Li, Guo-Hong; Chemistry and Biodiversity; vol. 12; nb. 9; (2015); p. 1415 - 1421, View in Reaxys; Donthiri, Ramachandra Reddy; Samanta, Supravat; Adimurthy, Subbarayappa; Organic and Biomolecular Chemistry; vol. 13; nb. 40; (2015); p. 10113 - 10116, View in Reaxys; Kiasat, Ali Reza; Javaherian, Mohammad; Daei, Mina; Farbod, Mansoor; Revue Roumaine de Chimie; vol. 60; nb. 9; (2015); p. 875 - 880, View in Reaxys; Lamb, Jessica R.; Mulzer, Michael; Lapointe, Anne M.; Coates, Geoffrey W.; Journal of the American Chemical Society; vol. 137; nb. 47; (2015); p. 15049 - 15054, View in Reaxys; Wet-Osot, Sirawit; Pattarawarapan, Mookda; Phakhodee, Wong; Tetrahedron Letters; vol. 56; nb. 52; (2015); p. 7172 - 7175, View in Reaxys; Müller, Daniel S.; Marek, Ilan; Journal of the American Chemical Society; vol. 137; nb. 49; (2015); p. 15414 - 15417, View in Reaxys; Xing, Qi; Lv, Hui; Xia, Chungu; Li, Fuwei; Chemical Communications; vol. 52; nb. 3; (2015); p. 489 - 492, View in Reaxys; Mndez-Snchez, Daniel; Mangas-Snchez, Juan; Busto, Eduardo; Gotor, Vicente; Gotor-Fernndez, Vicente; Advanced Synthesis and Catalysis; vol. 358; nb. 1; (2016); p. 122 - 131, View in Reaxys; Kodumuri, Srujana; Peraka, Swamy; Mameda, Naresh; Chevella, Durgaiah; Banothu, Rammurthy; Nama, Narender; RSC Advances; vol. 6; nb. 8; (2016); p. 6719 - 6723, View in Reaxys; Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys 2 of 2

Comment (Pharmacological Data)

physiological behaviour discussed

Xu, You-Yao; Lu, Hao; Wang, Xin; Zhang, Ke-Qin; Li, Guo-Hong; Chemistry and Biodiversity; vol. 12; nb. 9; (2015); p. 1415 - 1421, View in Reaxys Ecotoxicology (2) 1 of 2

Effect (Ecotoxicology)

microbial activity; effect on

Species or Test-System (Ecotoxicology)

indigenous soil microorganisms

Concentration (Ecotoxicology)

10 - 1000 mg/kg

Kind of Dosing (Ecotoxi- title comp. dissolved in acetone cology) Method (Ecotoxicology)

soils spiked with title comp.; incubated for 14 d at 21 deg C; potential nitrification determined by addition solution (NH4)4SO4 with sodium chlorate and shaked for 5 h

Further Details (Ecotoxi- soil from suburban area south of Adelaide, South Australia: campus soil or garden soil (depth cology) of 0-10 cm, clay 12.5-25 percent, silt 10-22.5 percent, sand 52.5-77.5 percent, pH 7.5-8.5, total carbon 3.01-4.98 percent); water and acetone as controls; duplicate experiments Results

title comp. stimulated potential nitrification in campus soil at 10 and 500 ppm, in garden soil at 10, 50 and 500 ppm over that in the acetone control (acetone inhibited potential nitrification, histograms)

Scott; Janusz; Perkins; Megharaj; Naidu; Kirkbride; Bulletin of Environmental Contamination and Toxicology; vol. 70; nb. 4; (2003); p. 824 - 831, View in Reaxys 2 of 2

Effect (Ecotoxicology)

microbial activity; effect on

Species or Test-System (Ecotoxicology)

dehydrogenase

Concentration (Ecotoxicology)

10 - 1000 mg/kg

Kind of Dosing (Ecotoxi- title comp. dissolved in acetone cology) Method (Ecotoxicology)

soils spiked with title comp.; incubated for 10 d at 21 deg C; dehydrogenase activity measured by incubation at 37 deg C for 24 h with 2,3,5-triphenyltetrazolium chloride for the production of triphenyltetrazolium formazan

Further Details (Ecotoxi- soil from suburban area south of Adelaide, South Australia: campus or garden soils (depth cology) of 0-10 cm, clay 12.5-25 percent, silt 10-22.5 percent, sand 52.5-77.5 percent, pH 7.5-8.5, total carbon 3.01-4.98 percent); water and acetone as controls; duplicate experiments Results

title comp. stimulated dehydrogenase activity in campus and garden soils at all conc. (histograms)

Scott; Janusz; Perkins; Megharaj; Naidu; Kirkbride; Bulletin of Environmental Contamination and Toxicology; vol. 70; nb. 4; (2003); p. 824 - 831, View in Reaxys Use (1) Laboratory Use and Handling

References

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Startsubstanz zur Paul; Fischer; Helvetica Chimica Acta; vol. 56; (1973); p. 1575,1584, View in Reaxys Radikalerzeugung Isolation from Natural Product (2) Isolation from Nat- References ural Product 'Kashiwai-Dstrain'

Kikuchi et al.; Chemical and Pharmaceutical Bulletin; vol. 22; (1974); p. 1681,1683, 1684, View in Reaxys

gek. Schweineleber, Wasserdampfdestillation

Mussinan; Walradt; Journal of Agricultural and Food Chemistry; vol. 22; (1974); p. 827,830, View in Reaxys

Reaxys ID 1909385 View in Reaxys

2/31 CAS Registry Number: 50848-68-5 Chemical Name: 1-Phenyl-(1,1-(2)H2)-2-propanone; 1,1-dideuterio-1-phenyl-propan-2-one; α-Phenylaceton-α-d2; Phenyl-2propanon-1,1-d2; Phenylaceton-1,1-d2 Linear Structure Formula: C9H8D2O Molecular Formula: C9H10O Molecular Weight: 136.162 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-RJSZUWSASA-N Note:

Substance Label (2) Label References 1a-D

Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys

Suerig, T.; Gruetzmacher, H.-Fr.; Organic Mass Spectrometry; vol. 24; (1989); p. 851 - 854, View in Reaxys

Boiling Point (1) Boiling Point [°C] 40

Pressure (Boiling Point) [Torr]

References

Winnik; Synthetic Communications; vol. 3; (1973); p. 299, View in Reaxys

Crystal Property Description (1) Colour & Other Location Properties colourless

supporting information

References Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys

NMR Spectroscopy (4) 1 of 4

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys 2 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Location

supporting information

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Roithova, Jana; Jankova, Stepanka; Jasikova, Lucie; Vana, Jiri; Hybelbauerova, Simona; Angewandte Chemie - International Edition; vol. 51; nb. 33; (2012); p. 8378 - 8382, View in Reaxys 3 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

26.84

Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Murase, Takashi; Takezawa, Hiroki; Fujita, Makoto; Chemical Communications; vol. 47; nb. 39; (2011); p. 10960 10962, View in Reaxys 4 of 4

Description (NMR Spec- NMR troscopy) Singh; Kagan; Journal of Organic Chemistry; vol. 35; (1970); p. 3839,3842, View in Reaxys

Mass Spectrometry (2) Description (Mass Location Spectrometry)

References

EI (Electron imsupporting inforpact); GCMS (Gas mation chromatography mass spectrometry); Spectrum

Murase, Takashi; Takezawa, Hiroki; Fujita, Makoto; Chemical Communications; vol. 47; nb. 39; (2011); p. 10960 - 10962, View in Reaxys

Singh; Kagan; Journal of Organic Chemistry; vol. 35; (1970); p. 3839,3842, View in Reaxys

Reaxys ID 1910224 View in Reaxys

3/31 CAS Registry Number: 50848-69-6 Chemical Name: 1,1,1-trideuterio-3-phenyl-propan-2-one; 1,1,1-Trideutero-3-phenylpropenon; Phenyl-2-propanon-3,3,3d(3); 1-Phenylaceton-3-d(3); 3,3,3-d3-Phenylaceton Linear Structure Formula: C9 (2)H3H7O Molecular Formula: C9H10O Molecular Weight: 137.154 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-FIBGUPNXSA-N Note:

2H 2H

Substance Label (3) Label References 1a'-D

Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys

Gaunt; Yu; Spencer; Chemical Communications; nb. 18; (2001); p. 1844 - 1845, View in Reaxys

Suerig, T.; Gruetzmacher, H.-Fr.; Organic Mass Spectrometry; vol. 24; (1989); p. 851 - 854, View in Reaxys

Crystal Property Description (1) Colour & Other Location Properties colourless

supporting information

References Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys

NMR Spectroscopy (2)

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1 of 2

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Ge, Jing-Jie; Yao, Chuan-Zhi; Wang, Mei-Mei; Zheng, Hong-Xing; Kang, Yan-Biao; Li, Yadong; Organic Letters; vol. 18; nb. 2; (2016); p. 228 - 231, View in Reaxys 2 of 2

Description (NMR Spec- NMR troscopy) Winnik; Synthetic Communications; vol. 3; (1973); p. 299, View in Reaxys

Reaxys ID 1911756 View in Reaxys

4/31 CAS Registry Number: 947-14-8 Chemical Name: 1,1,1,3,3-pentadeuterio-3-phenyl-propan-2one; 1-Phenyl-1,1,3,3,3-pentadeuteropropan-2-on; Phenyl-2propanon-1,1,3,3,3-d5; Phenylpentadeuteriopropanon; Phenylaceton-1,1,1,3,3-d5; Phenylaceton-d5 Linear Structure Formula: C9H5D5O Molecular Formula: C9H10O Molecular Weight: 139.138 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-WRMAMSRYSA-N Note:

2H 2H

Substance Label (1) Label References product of 6-d5 Boiling Point (1) Boiling Point [°C] 100

Angelis, Yiannis S.; Hatzakis, Nikos S.; Smonou, Ioulia; Orfanopoulos, Michael; Tetrahedron Letters; vol. 42; nb. 22; (2001); p. 3753 - 3756, View in Reaxys References Newman,B.C.; Eliel,E.L.; Journal of Organic Chemistry; vol. 35; nb. 11; (1970); p. 3641 - 3646, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- NMR troscopy) Newman,B.C.; Eliel,E.L.; Journal of Organic Chemistry; vol. 35; nb. 11; (1970); p. 3641 - 3646, View in Reaxys; Winnik; Synthetic Communications; vol. 3; (1973); p. 299, View in Reaxys

Mass Spectrometry (1) References Coutts et al.; Canadian Journal of Pharmaceutical Sciences; vol. 13; (1978); p. 61,62; Chem.Abstr.; vol. 90; nb. 71846z, View in Reaxys

Reaxys ID 1863854 View in Reaxys H C–

5/31 CAS Registry Number: 34438-76-1 Chemical Name: 1-phenyl-propan-2-one; enolate; 1-phenylprop-1-en-2-olate; Benzylmethylketon-Anion Linear Structure Formula: C9H9O(1-) Molecular Formula: C9H9O

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Molecular Weight: 133.17 Type of Substance: isocyclic InChI Key: MNEWPTXCYUMJKC-UHFFFAOYSA-N Note: Substance Label (3) Label References CH3COCHPh(1-)

Alnajjar, Mikhail S.; Zhang, Xian-Man; Gleicher, Gerald J.; Truksa, Scott V.; Franz, James A.; Journal of Organic Chemistry; vol. 67; nb. 25; (2002); p. 9016 - 9022, View in Reaxys

VI-5

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys

X=COMe, 1c

Bradamaule et al.; Journal of the Chemical Society, Chemical Communications; (1976); p. 478, View in Reaxys

Electrochemical Characteristics (2) 1 of 2

Description (Electrochemical Characteristics)

oxidation potential

Solvent (Electrochemical dimethylsulfoxide Characteristics) Alnajjar, Mikhail S.; Zhang, Xian-Man; Gleicher, Gerald J.; Truksa, Scott V.; Franz, James A.; Journal of Organic Chemistry; vol. 67; nb. 25; (2002); p. 9016 - 9022, View in Reaxys 2 of 2

Description (Electrochemical Characteristics)

oxidation potential

Bordwell, F. G.; Harrelson, John A.; Satish, A. V.; Journal of Organic Chemistry; vol. 54; nb. 13; (1989); p. 3101 3105, View in Reaxys NMR Spectroscopy (5) 1 of 5

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide scopy) Comment (NMR Spectroscopy)

1H-1H.

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys 4 of 5

Description (NMR Spec- NMR troscopy) Bradamante; Pagani; Journal of Organic Chemistry; vol. 44; (1979); p. 4735, View in Reaxys

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5 of 5

Description (NMR Spec- NMR troscopy) Comment (NMR Spectroscopy)

13C-NMR (para-13C), s. Fig.

Bradamaule et al.; Journal of the Chemical Society, Chemical Communications; (1976); p. 478, View in Reaxys

Reaxys ID 2438781 View in Reaxys

14C

Boiling Point (1) Boiling Point [°C] 91 - 92

6/31 CAS Registry Number: 51146-17-9 Chemical Name: 1-phenyl-[2-14 C]propan-2-one; 1-Phenyl-2propanon-2-14C; Phenylaceton-1-14C; Phenylaceton-2-14C Linear Structure Formula: C8 (14)CH10O Molecular Formula: C9H10O Molecular Weight: 136.167 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-PPJXEINESA-N Note:

Pressure (Boiling Point) [Torr]

References

Roberts; Douglass; Journal of Organic Chemistry; vol. 28; (1963); p. 1225,1228, View in Reaxys

Reaxys ID 1938625 View in Reaxys

7/31 CAS Registry Number: 66343-82-6 Chemical Name: 1-deuterio-1-phenyl-propan-2-one; 1-Phenylaceton-1-d Linear Structure Formula: C9H9DO Molecular Formula: C9H10O Molecular Weight: 135.17 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-WHRKIXHSSA-N Note:

Boiling Point (1) Boiling Point [°C] 64 - 65

Pressure (Boiling Point) [Torr]

References

Su,D.T.T.; Thornton,E.R.; Journal of the American Chemical Society; vol. 100; nb. 6; (1978); p. 1872 - 1875, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- NMR troscopy) Su,D.T.T.; Thornton,E.R.; Journal of the American Chemical Society; vol. 100; nb. 6; (1978); p. 1872 - 1875, View in Reaxys

Reaxys ID 1940658 View in Reaxys

8/31 CAS Registry Number: 65265-97-6 Chemical Name: [13C]-phenylacetone; 1-phenyl-[2-13 C]propan-2-one; Phenyl-propan-2-on<2-13C> Linear Structure Formula: C8 (13)CH10O Molecular Formula: C9H10O Molecular Weight: 135.167

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Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-VJJZLTLGSA-N Note: Substance Label (1) Label References 1

Cohen, Meital; Bretler, Uriel; Albeck, Amnon; Protein Science; vol. 22; nb. 6; (2013); p. 788 - 799, View in Reaxys

NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Cohen, Meital; Bretler, Uriel; Albeck, Amnon; Protein Science; vol. 22; nb. 6; (2013); p. 788 - 799, View in Reaxys 2 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Cohen, Meital; Bretler, Uriel; Albeck, Amnon; Protein Science; vol. 22; nb. 6; (2013); p. 788 - 799, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Brown,R.F.C. et al.; Australian Journal of Chemistry; vol. 30; (1977); p. 1757 - 1767, View in Reaxys Mass Spectrometry (2) Description (Mass References Spectrometry) high resolution mass spectrometry (HRMS); CI (Chemical ionization); spectrum

Cohen, Meital; Bretler, Uriel; Albeck, Amnon; Protein Science; vol. 22; nb. 6; (2013); p. 788 - 799, View in Reaxys

CI (Chemical ioni- Cohen, Meital; Bretler, Uriel; Albeck, Amnon; Protein Science; vol. 22; nb. 6; (2013); p. 788 - 799, zation); spectrum View in Reaxys

Reaxys ID 6010840 View in Reaxys

H C–

9/31 CAS Registry Number: 74098-86-5 Linear Structure Formula: C9H9O(1-)*Li(1+) Molecular Formula: C9H9O*Li Molecular Weight: 140.111 Type of Substance: isocyclic InChI Key: QJBIJORUNQEDHR-UHFFFAOYSA-N Note:

O Li+

Substance Label (2) Label References 2m

Ali, Syed Mashhood; Tanimoto, Shigeo; Journal of the Chemical Society, Chemical Communications; nb. 11; (1989); p. 684 - 685, View in Reaxys

VI-5, M=Li

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys

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NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Reaxys ID 9387822 View in Reaxys

10/31 Chemical Name: [2',6'-2H2]-phenylacetone Linear Structure Formula: C9H8D2O Molecular Formula: C9H10O Molecular Weight: 136.162 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-KCZCTXNHSA-N Note:

NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Cross, Paul W. C.; Ellames, George J.; Gibson, Jennifer S.; Herbert, John M.; Kerr, William J.; McNeill, Alan H.; Mathers, Trevor W.; Tetrahedron; vol. 59; nb. 18; (2003); p. 3349 - 3358, View in Reaxys 2 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CDCl3 scopy) Frequency (NMR Spectroscopy) [MHz]

270

Cross, Paul W. C.; Ellames, George J.; Gibson, Jennifer S.; Herbert, John M.; Kerr, William J.; McNeill, Alan H.; Mathers, Trevor W.; Tetrahedron; vol. 59; nb. 18; (2003); p. 3349 - 3358, View in Reaxys

Reaxys ID 1955842 View in Reaxys

11/31 2-oxo-1-phenyl-[2-13

13C

Chemical Name: C]propane-1,1-diyl Linear Structure Formula: C8 (13)CH8O Molecular Formula: C9H8O Molecular Weight: 133.151 Type of Substance: isocyclic InChI Key: RWEQCZVUMVLIOS-VJJZLTLGSA-N Note:

Substance Label (1) Label References Carben, 6e

Zeller; Chemische Berichte; vol. 112; (1979); p. 678,679-688, View in Reaxys

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Reaxys ID 1956158 View in Reaxys

12/31 CAS Registry Number: 71466-15-4 Chemical Name: 1-phenyl-[1,2,3-13 C]propan-2-one; 1-Phenyl-2-(1,2,3-13C(3))-propanon Linear Structure Formula: C6 (13)C3H10O Molecular Formula: C9H10O Molecular Weight: 137.145 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-QWRHZHGESA-N Note:

13C 2 13C 13CH

Boiling Point (1) Boiling Point [°C] 125

Pressure (Boiling Point) [Torr]

References

Pomerantz; Fink; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 16; nb. 2; (1979); p. 275 - 286, View in Reaxys

Reaxys ID 2085839 View in Reaxys

13/31 CAS Registry Number: 60145-11-1 Chemical Name: 1-phenyl-[1-14 C]propan-2-one; Phenylaceton-14C-7 Linear Structure Formula: C8 (14)CH10O Molecular Formula: C9H10O Molecular Weight: 136.167 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-WGGUOBTBSA-N Note:

14C 2

Substance Label (1) Label References C8%14&CH10O, 7

Pichat; Beaucourt; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 12; (1976); p. 31,32,35, View in Reaxys

Reaxys ID 2440187 View in Reaxys

14/31 1-phenyl-[1,1-3

Chemical Name: H]propan-2-one Linear Structure Formula: C9H8T2O Molecular Formula: C9H10O Molecular Weight: 138.162 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-RVCWVGSTSA-N Note:

Substance Label (1) Label References 10-Tab. 3

Kankaanperae et al.; Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry; vol. 31; (1977); p. 551,555, View in Reaxys

Reaxys ID 2443441 View in Reaxys 3H

15/31 Chemical Name: 1-phenyl-[3,3,3-3 H]propan-2-one Linear Structure Formula: C9H7T3O Molecular Formula: C9H10O Molecular Weight: 140.154 Type of Substance: isocyclic

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InChI Key: QCCDLTOVEPVEJK-RLXJOQACSA-N Note: Substance Label (1) Label References 10

Kankaanperae et al.; Acta Chemica Scandinavica, Series A: Physical and Inorganic Chemistry; vol. 31; (1977); p. 551,555, View in Reaxys

Reaxys ID 2574454 View in Reaxys

16/31 Chemical Name: 1-deuterio-3-phenyl-propan-2-one Linear Structure Formula: C9H9DO Molecular Formula: C9H10O Molecular Weight: 135.17 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-MICDWDOJSA-N Note:

Reaxys ID 2582787 View in Reaxys

17/31 CAS Registry Number: 66432-38-0 Chemical Name: 1,1-dideuterio-1-pentadeuteriophenyl-propan-2-one; Phenyl-2-propanon-d7 Linear Structure Formula: C9H3D7O Molecular Formula: C9H10O Molecular Weight: 141.122 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-XDLMLWIYSA-N Note:

2H 2H

Substance Label (1) Label References 8b

Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

Derivative (1) Comment (Deriva- References tive) Oxim: NMR, IR, MS

Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- NMR troscopy) Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys Mass Spectrometry (1) References Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

Reaxys ID 2621017 View in Reaxys

18/31

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2H2H

CAS Registry Number: 66432-37-9 Chemical Name: 1,1,1,3,3-pentadeuterio-3-pentadeuteriophenyl-propan-2-one; Phenyl-2-propanon-d10; Phenyl-2-propanond5 Linear Structure Formula: C9D10O Molecular Formula: C9H10O Molecular Weight: 144.098 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-ASFYBGGCSA-N Note:

2H 2H 2H O

2H 2H

Substance Label (1) Label References 8a

Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

Derivative (2) Comment (Deriva- References tive) Oxim: NMR, IR

Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

Oxim: NMR, IR, MS

Najjar; Blake; Benoit; Lu; Journal of Medicinal Chemistry; vol. 21; nb. 6; (1978); p. 555 - 558, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Reaxys ID 4387346 View in Reaxys

H C–

19/31 CAS Registry Number: 63866-06-8 Chemical Name: 1-Phenyl-2-propanone Dianion Linear Structure Formula: C9H8O(2-) Molecular Formula: C9H8O Molecular Weight: 132.162 Type of Substance: isocyclic InChI Key: NULYSKHRBZQXPW-UHFFFAOYSA-N Note:

O CH –2

Substance Label (1) Label References 3

Trimitsis, G. B.; Hinkley, J. M.; TenBrink, R.; Faburada, A. L.; Anderson, R.; et al.; Journal of Organic Chemistry; vol. 48; nb. 18; (1983); p. 2957 - 2962, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- tetrahydrofuran-d8; hexane scopy) Trimitsis, G. B.; Hinkley, J. M.; TenBrink, R.; Faburada, A. L.; Anderson, R.; et al.; Journal of Organic Chemistry; vol. 48; nb. 18; (1983); p. 2957 - 2962, View in Reaxys

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Reaxys ID 4995176 View in Reaxys

20/31 CAS Registry Number: 65538-28-5 Linear Structure Formula: C9H5D5O Molecular Formula: C9H10O Molecular Weight: 139.138 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-VIQYUKPQSA-N Note:

2H 2H

Substance Label (1) Label References C6D5CH2COCH3 Bard, Raymond R.; Bunnett, J. F.; Creary, Xavier; Tremelling, Michael, J.; Journal of the American Chemical Society; vol. 102; nb. 8; (1980); p. 2852 - 2854, View in Reaxys

Reaxys ID 5425245 View in Reaxys

21/31 (13)CH

Linear Structure Formula: C8 10O Molecular Formula: C9H10O Molecular Weight: 135.167 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-OUBTZVSYSA-N Note:

O 13CH

Reaxys ID 5625519 View in Reaxys

22/31 Linear Structure Formula: C9H10O*Cl(1-) Molecular Formula: C9H10O*Cl Molecular Weight: 169.631 Type of Substance: isocyclic InChI Key: CWJQOBWHGWRZIC-UHFFFAOYSA-M Note:

O Cl –

Substance Label (1) Label References Fig. 4.

French, M. A.; Ikuta, S.; Kebarle, P.; Canadian Journal of Chemistry; vol. 60; (1982); p. 1907 - 1918, View in Reaxys

Reaxys ID 5923546 View in Reaxys

23/31 CAS Registry Number: 103-79-7 Chemical Name: benzyl methyl ketone cation Linear Structure Formula: C9H10O(1+) Molecular Formula: C9H10O Molecular Weight: 134.178 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-UHFFFAOYSA-N Note:

1 O

Substance Label (1) Label References table 3 entry 2

Rao, D. N. Ramakrishna; Symons, Martyn C. R.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1985); p. 991 - 1000, View in Reaxys

ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR-hyperfine coupling constants

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Solvents (ESR Spectroscopy)

CCl3F

Temperature (ESR Spectroscopy) [°C]

-196.2

Comment (ESR Spectro- 1H. scopy) Rao, D. N. Ramakrishna; Symons, Martyn C. R.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1985); p. 991 - 1000, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

Spectrum

Solvents (ESR Spectroscopy)

CCl3F

Temperature (ESR Spectroscopy) [°C]

-196.2

Rao, D. N. Ramakrishna; Symons, Martyn C. R.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1985); p. 991 - 1000, View in Reaxys

Reaxys ID 6009449 View in Reaxys

H C–

24/31 CAS Registry Number: 86543-52-4 Linear Structure Formula: C9H9O(1-)*K(1+) Molecular Formula: C9H9O*K Molecular Weight: 172.268 Type of Substance: isocyclic InChI Key: RATIPGBZEKLSPE-UHFFFAOYSA-N Note:

O K+

Substance Label (1) Label References VI-5, M=K

Bradamante, Silvia; Pagani, Giorgio A.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1986); p. 1035 - 1046, View in Reaxys

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Reaxys ID 6191270 View in Reaxys

H C+

25/31 Chemical Name: α-acetylbenzyl cation Linear Structure Formula: C9H9O(1+) Molecular Formula: C9H9O Molecular Weight: 133.17 Type of Substance: isocyclic InChI Key: XIXBXGATMXLVFE-UHFFFAOYSA-N Note:

Substance Label (1) Label References

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Dommroese, Anne-Marie; Gruetzmacher, Hans-Friedrich; Organic Mass Spectrometry; vol. 22; (1987); p. 437 - 443, View in Reaxys

Mass Spectrometry (1) Description (Mass Comment (Mass Spectrometry) Spectrometry)

References

fragmentation pat- MIKE (mass ion Dommroese, Anne-Marie; Gruetzmacher, Hans-Friedrich; Organic Mass Spectrometry; tern kinetic energy); vol. 22; (1987); p. 437 - 443, View in Reaxys IKE(S) (ion kinetic energy (spectrum))

Reaxys ID 6389597 View in Reaxys

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O(1+)

Linear Structure Formula: C9H10 Molecular Formula: C9H10O Molecular Weight: 134.178 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-UHFFFAOYSA-N Note:

1 O

Substance Label (1) Label References 10 rad(1+)

Vainiotalo, Pirjo; Nevalainen, Vesa; Organic Mass Spectrometry; vol. 21; (1986); p. 467 - 472, View in Reaxys

Mass Spectrometry (1) Description (Mass Comment (Mass Spectrometry) Spectrometry) spectrum

References

collisional activation; metastable ions

Vainiotalo, Pirjo; Nevalainen, Vesa; Organic Mass Spectrometry; vol. 21; (1986); p. 467 - 472, View in Reaxys

Reaxys ID 7989042 View in Reaxys

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Linear Structure Formula: C9H10O(1-) Molecular Formula: C9H10O Molecular Weight: 134.178 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-UHFFFAOYSA-N Note:

-1 O

Reaxys ID 9995251 View in Reaxys

28/31 Linear Structure Formula: C9H9DO Molecular Formula: C9H10O Molecular Weight: 135.17 Type of Substance: isocyclic InChI Key: QCCDLTOVEPVEJK-UICOGKGYSA-N Note:

Reaxys ID 10151763 View in Reaxys

29/31

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H C

Linear Structure Formula: C9H9O Molecular Formula: C9H9O Molecular Weight: 133.17 Type of Substance: isocyclic InChI Key: MFWQQCGPSFVHLZ-UHFFFAOYSA-N Note:

Reaxys ID 13386603 View in Reaxys

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Chemical Name: 2,4-pentanedione phenylacetone Linear Structure Formula: C5H8O2*C9H10O Molecular Formula: C5H8O2*C9H10O Molecular Weight: 234.295 InChI Key: GTTFKEKXZCWHCW-UHFFFAOYSA-N Note:

Patent-Specific Data (1) Location in Patent References Claim

Patent; Emery Industries, Inc.; US4252739; (1981); (A1) English, View in Reaxys

Reaxys ID 15310410 View in Reaxys

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Chemical Name: dimethyl phenylacetylmethane phosphonate Linear Structure Formula: C2H7O3P*C9H10O Molecular Formula: C2H7O3P*C9H10O Molecular Weight: 244.227 InChI Key: NJWHTZIDNQXJCR-UHFFFAOYSA-N Note:

O PH

(v5)

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