1-(p-Tolyl)propan-1-one (4-MePP) by Asch

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Date

3 substances in Reaxys

2016-06-28 12h:45m:05s (EST)

2 substances in Reaxys

2016-06-28 12h:45m:56s (EST)

1. Query

Search as: As drawn, No mixtures, No charges, No radicals 2. Query

(1. Query) AND NOT itemno in (2)

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2016-06-28 12:50:00

Reaxys ID 2042137 View in Reaxys

1/2 CAS Registry Number: 5337-93-9 Chemical Name: 4'-methylpropiophenone Linear Structure Formula: CH3C6H4COC2H5 Molecular Formula: C10H12O Molecular Weight: 148.205 Type of Substance: isocyclic InChI Key: PATYHUUYADUHQS-UHFFFAOYSA-N Note:

Substance Label (57) Label References 1

Balint, Jozsef; Markovits, Imre; Egri, Gabriella; Tuza, Zsuzsanna; Parkanyi, Laszlo; Fogassy, Elemer; Tetrahedron Asymmetry; vol. 12; nb. 5; (2001); p. 719 - 724, View in Reaxys; Balint, Jozsef; Hell, Zoltan; Markovits, Imre; Parkanyi, Laszlo; Fogassy, Elemer; Tetrahedron Asymmetry; vol. 11; nb. 6; (2000); p. 1323 - 1329, View in Reaxys; Jullian, Valerie; Monjardet-Bas, Veronique; Fosse, Celine; Lavielle, Solange; Chassaing, Gerard; European Journal of Organic Chemistry; nb. 10; (2002); p. 1677 - 1684, View in Reaxys; Zhu, Cuiju; Zhang, Yuanfei; Zhao, Huaiqing; Huang, Shijun; Zhang, Min; Su, Weiping; Advanced Synthesis and Catalysis; vol. 357; nb. 2-3; (2015); p. 331 - 338, View in Reaxys; Jie, Xiaoming; Shang, Yaping; Zhang, Xiaofeng; Su, Weiping; Journal of the American Chemical Society; vol. 138; nb. 17; (2016); p. 5623 - 5633, View in Reaxys

Monlen, Alicia; Glaus, Florian; Vergura, Stefania; Jorgensen, Karl Anker; Angewandte Chemie - International Edition; vol. 55; nb. 7; (2016); p. 2478 - 2482; Angew. Chem.; vol. 128; nb. 7; (2016); p. 2524 - 2528,5, View in Reaxys

39d

Rimaz, Mehdi; Aali, Farkhondeh; Chinese Journal of Catalysis; vol. 37; nb. 4; (2016); p. 517 - 525, View in Reaxys

Sun, Kai; Zhu, Zhonghong; Sun, Jingjing; Liu, Lulu; Wang, Xin; Journal of Organic Chemistry; vol. 81; nb. 4; (2016); p. 1476 - 1483, View in Reaxys

Wang, Lianyue; Shang, SenSen; Li, Guosong; Ren, Lanhui; Lv, Ying; Gao, Shuang; Journal of Organic Chemistry; vol. 81; nb. 5; (2016); p. 2189 - 2193, View in Reaxys

Togo, Hideo; Abe, Seiichiro; Nogami, Genki; Yokohama, Masataka; Bulletin of the Chemical Society of Japan; vol. 72; nb. 10; (1999); p. 2351 - 2356, View in Reaxys; Sun, Kai; Lv, Yunhe; Zhu, Zhonghong; Zhang, Liping; Wu, Hankui; Liu, Lin; Jiang, Yongqing; Xiao, Beibei; Wang, Xin; RSC Advances; vol. 5; nb. 4; (2015); p. 3094 - 3097, View in Reaxys; Quan, Xu; Kerdphon, Sutthichat; Andersson, Pher G.; Chemistry - A European Journal; vol. 21; nb. 9; (2015); p. 3576 - 3579, View in Reaxys

Xi, Qi; Lin, Xingji; Chang, Jianhua; Ding, Yixiang; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 178; nb. 1; (2003); p. 47 - 54, View in Reaxys; Du, Juan; Zhang, Xiuli; Sun, Xi; Wang, Lei; Chemical Communications; vol. 51; nb. 21; (2015); p. 4372 - 4375, View in Reaxys; Liang, Yu-Feng; Wu, Kai; Song, Song; Li, Xinyao; Huang, Xiaoqiang; Jiao, Ning; Organic Letters; vol. 17; nb. 4; (2015); p. 876 - 879, View in Reaxys

Cui, Sun-Liang; Lin, Xu-Feng; Wang, Yan-Guang; Journal of Organic Chemistry; vol. 70; nb. 7; (2005); p. 2866 - 2869, View in Reaxys; Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys; Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra; European Journal of Organic Chemistry; vol. 2015; nb. 14; (2015); p. 3135 - 3140, View in Reaxys; Ghosh, Monoranjan; Mishra, Subhajit; Hajra, Alakananda; Journal of Organic Chemistry; vol. 80; nb. 10; (2015); p. 5364 - 5368, View in Reaxys; Zhao, Jinwu; Liu, Li; Xiang, Shijian; Liu, Qiang; Chen, Huoji; Organic and Biomolecular Chemistry; vol. 13; nb. 20; (2015); p. 5613 - 5616, View in Reaxys

Homann, Michael J.; Vail, Robert B.; Previte, Edward; Tamarez, Maria; Morgan, Brian; Dodds, David R.; Zaks, Aleksey; Tetrahedron; vol. 60; nb. 3; (2004); p. 789 - 797, View in Reaxys; Xu, Bin; Jiang, Qing; Zhao, An; Jia, Jing; Liu, Qiang; Luo, Weiping; Guo, Cancheng; Chemical Communications; vol. 51; nb. 56; (2015); p. 11264 - 11267, View in Reaxys

Sun, Tian; Zhang, Xumu; Advanced Synthesis and Catalysis; vol. 354; nb. 17; (2012); p. 3211 - 3215, View in Reaxys; Li, Yanyun; Yu, Shenluan; Wu, Xiaofeng; Xiao, Jianliang; Shen, Weiyi; Dong, Zhenrong; Gao, Jingxing; Journal of the American Chemical Society; vol. 136; nb. 10; (2014); p. 4031 - 4039, View in Reaxys; Ros-Lombarda, Nicols; Vidal, Cristian; Cocina, Mara; Mors, Francisco; Garca-lvarez, Joaqun; Gonzlez-Sabn, Javier; Chemical Communications; vol. 51; nb. 54; (2015); p. 10937 - 10940, View in Reaxys

Zhang, Guofu; Lei, Jie; Han, Xingwang; Luan, Yuxin; Ding, Chengrong; Shan, Shang; Synlett; vol. 26; nb. 6; (2015); p. 779 - 784, View in Reaxys

De La Campa, Raquel; Ortn, Irene; Dixon, Darren J.; Angewandte Chemie - International Edition; vol. 54; nb. 16; (2015); p. 4895 - 4898; Angew. Chem.; vol. 127; nb. 16; (2015); p. 4977 - 4980,4, View in Reaxys

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Imai, Sho; Kikui, Hiroki; Moriyama, Katsuhiko; Togo, Hideo; Tetrahedron; vol. 71; nb. 33; (2015); p. 5267 - 5274, View in Reaxys

Gregg, Ryan A.; Baumann, Michael H.; Partilla, John S.; Bonano, Julie S.; Vouga, Alexandre; Tallarida, Christopher S.; Velvadapu, Venkata; Smith, Garry R.; Peet, M. Melissa; Reitz, Allen B.; Negus, S. Stevens; Rawls, Scott M.; British Journal of Pharmacology; vol. 172; nb. 3; (2015); p. 883 - 894, View in Reaxys

3ac

Aravinda Kumar; Venkateswarlu, Vunnam; Vishwakarma, Ram A.; Sawant, Sanghapal D.; Synthesis (Germany); vol. 47; nb. 20; (2015); p. 3161 - 3168; Art.No: SS-2015-T0238-OP, View in Reaxys

Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, Qiang-Qiang; Ning, Xiao-Shan; Kang, Yan-Biao; Tang, Yong; Organic Letters; vol. 17; nb. 24; (2015); p. 6102 - 6105, View in Reaxys

Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys; Tang, Conghui; Jiao, Ning; Angewandte Chemie - International Edition; vol. 53; nb. 25; (2014); p. 6528 - 6532; Angew. Chem.; vol. 126; nb. 25; (2014); p. 6646 - 6650,5, View in Reaxys

MPP

Karunakaran; Balachandran; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 128; (2014); p. 1 - 14, View in Reaxys

Blough, Bruce E.; Landavazo, Antonio; Partilla, John S.; Baumann, Michael H.; Decker, Ann M.; Page, Kevin M.; Rothman, Richard B.; ACS Medicinal Chemistry Letters; vol. 5; nb. 6; (2014); p. 623 - 627, View in Reaxys

Huang, Xiaoqiang; Li, Xinyao; Zou, Miancheng; Song, Song; Tang, Conghui; Yuan, Yizhi; Jiao, Ning; Journal of the American Chemical Society; vol. 136; nb. 42; (2014); p. 14858 - 14865, View in Reaxys

4ab

Skillinghaug, Bobo; Sköld, Christian; Rydfjord, Jonas; Svensson, Fredrik; Behrends, Malte; Sävmarker, Jonas; Sjöberg, Per J. R.; Larhed, Mats; Journal of Organic Chemistry; vol. 79; nb. 24; (2014); p. 12018 - 12032, View in Reaxys

(E)-2g

Zhang, De-Yang; Zhu, Fu-Lin; Wang, Ya-Hui; Hu, Xin-Hu; Chen, Song; Hou, Chuan-Jin; Hu, Xiang-Ping; Chemical Communications; vol. 50; nb. 92; (2014); p. 14459 - 14462, View in Reaxys

Jiang, Jian-An; Du, Cai-Yan; Gu, Chun-Hui; Ji, Ya-Fei; Synlett; vol. 23; nb. 20; (2012); p. 2965 - 2968, View in Reaxys; Jiang, Jian-An; Huang, Wei-Bin; Zhai, Jiao-Jiao; Liu, Hong-Wei; Cai, Qi; Xu, Liu-Xin; Wang, Wei; Ji, Ya-Fei; Tetrahedron; vol. 69; nb. 2; (2013); p. 627 - 635, View in Reaxys; Lim, Young Jo; Kim, Dae Young; Bulletin of the Korean Chemical Society; vol. 34; nb. 7; (2013); p. 1955 - 1956, View in Reaxys

Shang, Yaping; Jie, Xiaoming; Zhou, Jun; Hu, Peng; Huang, Shijun; Su, Weiping; Angewandte Chemie International Edition; vol. 52; nb. 4; (2013); p. 1299 - 1303; Angew. Chem.; vol. 125; nb. 4; (2013); p. 1337 1341,5, View in Reaxys

Iinuma, Masataka; Moriyama, Katsuhiko; Togo, Hideo; Tetrahedron; vol. 69; nb. 14; (2013); p. 2961 2970, View in Reaxys

Iida, Kazuki; Miura, Takashi; Ando, Junki; Saito, Susumu; Organic Letters; vol. 15; nb. 7; (2013); p. 1436 - 1439, View in Reaxys

Wu, Ji-Cheng; Gong, Lu-Bing; Xia, Yuanzhi; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng; Angewandte Chemie - International Edition; vol. 51; nb. 39; (2012); p. 9909 - 9913, View in Reaxys

18a

Fournier, Anne M.; Nichols, Christopher J.; Vincent, Mark A.; Hillier, Ian H.; Clayden, Jonathan; Chemistry - A European Journal; vol. 18; nb. 51; (2012); p. 16478 - 16490, View in Reaxys

Patent; RESEARCH TRIANGLE INSTITUTE; CARROLL, Frank Ivy; BLOUGH, Bruce; ABRAHAM, Philip; WO2010/121022; (2010); (A1) English, View in Reaxys

10 (R2=4-CH3)

Watanabe, Kazutoshi; Morinaka, Yasuhiro; Hayashi, Yoshio; Shinoda, Masaki; Nishi, Hiroyoshi; Fukushima, Nobuko; Watanabe, Toshiaki; Ishibashi, Akira; Yuki, Satoshi; Tanaka, Masahiko; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 4; (2008); p. 1478 - 1483, View in Reaxys

Table 2. Ent.5. Prod.2

Borate, Hanumant B.; Gaikwad, Abaji G.; Maujan, Suleman R.; Sawargave, Sangmeshwer P.; Kalal, Kamalakar M.; Tetrahedron Letters; vol. 48; nb. 28; (2007); p. 4869 - 4872, View in Reaxys

Liu, Tian-Yu; Cui, Hai-Lei; Zhang, Yan; Jiang, Kun; Du, Wei; He, Zhao-Quan; Chen, Ying-Chun; Organic Letters; vol. 9; nb. 18; (2007); p. 3671 - 3674, View in Reaxys

9 (Tab.2, run 2)

Justik, Michael W.; Tetrahedron Letters; vol. 48; nb. 17; (2007); p. 3003 - 3007, View in Reaxys

4.5a

Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis; Tetrahedron; vol. 63; nb. 52; (2007); p. 12917 - 12926, View in Reaxys

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Tab.2.col.4.r.39.

Rao, Maddali L.N.; Venkatesh, Varadhachari; Jadhav, Deepak N.; Tetrahedron Letters; vol. 47; nb. 39; (2006); p. 6975 - 6978, View in Reaxys

ketone, Tab. 3, entry 7

Li, Xiaohong; Blacker, John; Houson, Ian; Wu, Xiaofeng; Xiao, Jianliang; Synlett; nb. 8; (2006); p. 1155 1160, View in Reaxys

Xu, Jiaxi; Xia, Jiakun; Lan, Yu; Synthetic Communications; vol. 35; nb. 17; (2005); p. 2347 - 2353, View in Reaxys

20b

Yamaguchi, Kazuya; Koike, Takeshi; Kotani, Miyuki; Matsushita, Mitsunori; Shinachi, Satoshi; Mizuno, Noritaka; Chemistry - A European Journal; vol. 11; nb. 22; (2005); p. 6574 - 6582, View in Reaxys

Krishnamurthy, Mathangi; Li, Wei; Moore II, Bob M.; Bioorganic and Medicinal Chemistry; vol. 12; nb. 2; (2004); p. 393 - 404, View in Reaxys

pMeC6H4COCH2 CH3

Ghazanfari, Dadkhoda; Najafizadeh, Fariba; Khosravi, Fereshteh; Monatshefte fur Chemie; vol. 135; nb. 11; (2004); p. 1409 - 1413, View in Reaxys

Xu, Jiaxi; Wei, Tiezheng; Zhang, Qihan; Journal of Organic Chemistry; vol. 69; nb. 20; (2004); p. 6860 6866, View in Reaxys

p-MeC6H4COEt

Lee, Jong Chan; Choi, Hyun Jung; Lee, Yong Chan; Tetrahedron Letters; vol. 44; nb. 1; (2003); p. 123 125, View in Reaxys

Sano, Shigeki; Takemoto, Yuka; Nagao, Yoshimitsu; Tetrahedron Letters; vol. 44; nb. 49; (2003); p. 8853 8855, View in Reaxys

R1=p-MeC6H4, R2=CH3

Lee, Jong Chan; Lee, Yong Chan; Synthetic Communications; vol. 33; nb. 22; (2003); p. 3943 - 3946, View in Reaxys

Nakamura, Hideo; Kashiwara, Yuki; Arata, Kazushi; Bulletin of the Chemical Society of Japan; vol. 76; nb. 5; (2003); p. 1071 - 1074, View in Reaxys

pLee; Jin; Choi; Chemical Communications; nb. 11; (2001); p. 956 - 957, View in Reaxys; Lee, Jong Chan; CH3C6H4COCH2 Bae, Yong Hun; Synlett; nb. 4; (2003); p. 507 - 508, View in Reaxys CH3 ketone, entry 3

Lee, Jong Chan; Park, Hong-Jun; Park, Jin Young; Tetrahedron Letters; vol. 43; nb. 32; (2002); p. 5661 5664, View in Reaxys

Zhang, Nan; Vozzolo, Joseph; Journal of Organic Chemistry; vol. 67; nb. 5; (2002); p. 1703 - 1704, View in Reaxys

16c

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

Yu, Jianhua; Hu, Yulai; Huang, Qibin; Ma, Ronghua; Yang, Shiyan; Synthetic Communications; vol. 30; nb. 15; (2000); p. 2801 - 2806, View in Reaxys

educt, entry 4

Lee, Jong Chan; Song, In-Goul; Tetrahedron Letters; vol. 41; nb. 31; (2000); p. 5891 - 5894, View in Reaxys

Elinson, Michail N.; Feducovich, Sergey K.; Dorofeev, Alexander S.; Vereshchagin, Anatolii N.; Nikishin, Gennady I.; Tetrahedron; vol. 56; nb. 51; (2000); p. 9999 - 10003, View in Reaxys

5, Me

Togo; Nabana; Yamaguchi; Journal of Organic Chemistry; vol. 65; nb. 24; (2000); p. 8391 - 8394, View in Reaxys

Yu, Jianhua; Hu, Yulai; Huang, Qibing; Ma, Ronghua; Yang, Shiyan; Synthetic Communications; vol. 29; nb. 15; (1999); p. 2567 - 2574, View in Reaxys

entry 6

Lee, Jong Chan; Jin, Yong Suk; Synthetic Communications; vol. 29; nb. 16; (1999); p. 2769 - 2774, View in Reaxys

Table 2, entry 9

Kabalka; Li; Tejedor; Malladi; Gao; Trotman; Synthetic Communications; vol. 29; nb. 16; (1999); p. 2783 2787, View in Reaxys

Dietrich, Axel; Fels, Gregor; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 42; nb. 12; (1999); p. 1125 - 1134, View in Reaxys

Patent-Specific Data (2) Prophetic ComReferences pound Patent; Bayer Aktiengesellschaft; US6359151; (2002); (B2) English, View in Reaxys prophetic product

Patent; Hoechst Aktiengesellschaft; US4266066; (1981); (A1) English, View in Reaxys

Related Structure (1)

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References Levy; Winstein; Journal of the American Chemical Society; vol. 90; (1968); p. 3574, View in Reaxys Derivative (8) Comment (Derivative)

References

Semicarbazon Szotyori et al.; Revue Roumaine de Chimie; vol. 12; (1967); p. 1155,1167, View in Reaxys (C11H15N3O): F.: 186-187grad (wss. A.) Oxim: F: 89 90grad

Warner et al.; Journal of the Chemical Society; (1962); p. 1232, View in Reaxys

2,4-Dinitrophenyl- Scoggins; Hancock; Journal of Organic Chemistry; vol. 26; (1961); p. 3490,3492, View in Reaxys hydrazon: F: 204 - 205grad, korr. 2.4-dinitro-phenyl- Pines; Strehlau; Ipatieff; Journal of the American Chemical Society; vol. 71; (1949); p. 3534,3538, hydrazone (mp: View in Reaxys 200-202 degree ) semicarbazone (mp: 187-188 degree )

Pines; Strehlau; Ipatieff; Journal of the American Chemical Society; vol. 71; (1949); p. 3534,3538, View in Reaxys

semicarbazone Baddeley; Journal of the Chemical Society; (1944); p. 232,235, View in Reaxys; Grammaticakis; Bulletin de (mp: 187 degree ) la Societe Chimique de France; vol. <5> 7; (1940); p. 527,669, View in Reaxys oxime (mp: 89 de- Grammaticakis; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 38,49, View in Reaxys gree ) 4-thiocyanatophenylhydrazone (mp: 139-140 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

Melting Point (2) 1 of 2

Melting Point [°C]

Fernandez Gonzalez et al.; Anales de Quimica (1968-1979); vol. 70; (1974); p. 917,919, View in Reaxys 2 of 2

Melting Point [°C]

7.2

Birch et al.; Journal of the American Chemical Society; vol. 71; (1949); p. 1362,1366, View in Reaxys Boiling Point (36) Boiling Point [°C] Pressure (Boiling Point) [Torr]

Comment (Boiling References Point)

240

Salokhe; Mote; Suryavanshi; Salunkhe; Journal of the Indian Chemical Society; vol. 86; nb. 12; (2009); p. 1347 - 1351, View in Reaxys

238

Sreekumar; Padmakumar, Raghavakaimal; Synthetic Communications; vol. 27; nb. 5; (1997); p. 777 - 780, View in Reaxys

70.5

0.4

Ono; Tamura; Kaji; Journal of the American Chemical Society; vol. 105; nb. 12; (1983); p. 4017 - 4022, View in Reaxys

137 - 139

0.7

Lociuro, S.; Vecchi, E.; Zeuli, E.; Delfini, M.; Tetrahedron; vol. 38; nb. 22; (1982); p. 3339 - 3345, View in Reaxys

100 - 104

Yuldashev; Zhurnal Organicheskoi Khimii; vol. 14; (1978); p. 113,103, View in Reaxys

104 - 106

Bratchanskii,P.E.; Komissarova,G.G.; Zhurnal Organicheskoi Khimii; vol. 11; (1975); p. 1661 - 1665,1650 - 1654, View in Reaxys

135

Guyon,R.; Villa,P.; Bulletin de la Societe Chimique de France; (1975); p. 2593 - 2598, View in Reaxys

105 - 106

Fernandez Gonzalez et al.; Anales de Quimica (1968-1979); vol. 70; (1974); p. 917,919, View in Reaxys

114

Chakravarty,J.; Ghatak,U.R.; Indian Journal of Chemistry; vol. 7; (1969); p. 215 - 223, View in Reaxys

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114 - 116

Schmauder; Groeger; Schwalbe; Die Pharmazie; vol. 24; nb. 12; (1969); p. 735 - 745, View in Reaxys

0.1

Cuvigny; Normant; Bulletin de la Societe Chimique de France; (1968); p. 4990, View in Reaxys

70 - 72

Hamelin,J.; Carrie,R.; Bulletin de la Societe Chimique de France; (1968); p. 2513 - 2520, View in Reaxys

111

Szotyori et al.; Revue Roumaine de Chimie; vol. 9; (1964); p. 545,554, View in Reaxys; Szotyori et al.; Revue Roumaine de Chimie; vol. 12; (1967); p. 1155,1167, View in Reaxys

Pasynkiewicz et al.; Roczniki Chemii; vol. 38; (1964); p. 67,77, View in Reaxys

88 - 89

Pasynkiewicz et al.; Roczniki Chemii; vol. 38; (1964); p. 67,77, View in Reaxys

Pasynkiewicz et al.; Roczniki Chemii; vol. 37; (1963); p. 31,40, View in Reaxys

79 - 83

Pasynkiewicz et al.; Roczniki Chemii; vol. 37; (1963); p. 31,40, View in Reaxys

101 - 112

127

Patent; Dow; US3145216; (1962); Chem.Abstr.; vol. 61; nb. 13244h; (1964), View in Reaxys

121 - 124

Warner et al.; Journal of the Chemical Society; (1962); p. 1232, View in Reaxys

82 - 83

Dahlig et al.; Roczniki Chemii; vol. 34; (1960); p. 401,409; Chem.Abstr.; nb. 361a; (1961), View in Reaxys

97 - 98

5.5

Ueda et al.; Pharmaceutical Bulletin; vol. 4; (1956); p. 182,184, View in Reaxys

110

Forbes; Mueller; Canadian Journal of Chemistry; vol. 33; (1955); p. 1145,1153, View in Reaxys

233

Cullinane et al.; Journal of the Chemical Society; (1952); p. 376,4106, View in Reaxys

135

Birch et al.; Journal of the American Chemical Society; vol. 71; (1949); p. 1362,1366, View in Reaxys

114.5

Pines; Strehlau; Ipatieff; Journal of the American Chemical Society; vol. 71; (1949); p. 3534,3538, View in Reaxys

115

Baddeley; Journal of the Chemical Society; (1944); p. 232,235, View in Reaxys

111

Grammaticakis; Bulletin de la Societe Chimique de France; vol. <5> 7; (1940); p. 527,669, View in Reaxys

106

Noller; Adams; Journal of the American Chemical Society; vol. 46; (1924); p. 1892, View in Reaxys

239

739

Noller; Adams; Journal of the American Chemical Society; vol. 46; (1924); p. 1892, View in Reaxys

114

v. Auwers; Kolligs; Chemische Berichte; vol. 55; (1922); p. 42, View in Reaxys

113

v. Auwers; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys

119 - 120

v. Auwers; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys

238

745

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. 152; (1911); p. 91; Bulletin de la Societe Chimique de France; vol. <4> 9; (1911); p. 949, View in Reaxys

125

Klages; Chemische Berichte; vol. 35; (1902); p. 2263; Chemische Berichte; vol. 38; (1905); p. 913, View in Reaxys

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238 - 239

760

Klages; Chemische Berichte; vol. 35; (1902); p. 2263; Chemische Berichte; vol. 38; (1905); p. 913, View in Reaxys

237 - 239

fluessig.

Errera; Gazzetta Chimica Italiana; vol. 21 I; (1891); p. 98, View in Reaxys

Refractive Index (12) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

References

1.5272

589

Bratchanskii,P.E.; Komissarova,G.G.; Zhurnal Organicheskoi Khimii; vol. 11; (1975); p. 1661 - 1665,1650 - 1654, View in Reaxys

1.5271

589

Cuvigny; Normant; Bulletin de la Societe Chimique de France; (1968); p. 4990, View in Reaxys

1.527

589

Patent; Dow Chem.; US3280147; (1966); Chem.Abstr.; vol. 66; nb. 2372r; (1967), View in Reaxys

1.5332

589

Patent; Dow; US3145216; (1962); Chem.Abstr.; vol. 61; nb. 13244h; (1964), View in Reaxys

1.5264

589

22.5

Forbes; Mueller; Canadian Journal of Chemistry; vol. 33; (1955); p. 1145,1153, View in Reaxys

1.5238

589

Lagemann et al.; Journal of the American Chemical Society; vol. 74; (1952); p. 1602, View in Reaxys

1.5287

589

Pines; Strehlau; Ipatieff; Journal of the American Chemical Society; vol. 71; (1949); p. 3534,3538, View in Reaxys

1.5278

589

Noller; Adams; Journal of the American Chemical Society; vol. 46; (1924); p. 1892, View in Reaxys; Birch et al.; Journal of the American Chemical Society; vol. 71; (1949); p. 1362,1366, View in Reaxys

1.5218

656.3

20.7

v. Auwers; Justus Liebigs Annalen der Chemie; vol. 408; (1915); p. 244; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys

1.527

589

20.7

v. Auwers; Justus Liebigs Annalen der Chemie; vol. 408; (1915); p. 244; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys

1.5407

486.1

20.7

v. Auwers; Justus Liebigs Annalen der Chemie; vol. 408; (1915); p. 244; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys

1.5529

434

20.7

v. Auwers; Justus Liebigs Annalen der Chemie; vol. 408; (1915); p. 244; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys

Density (7) 1 of 7

Density [g·cm-3]

1.0238

Reference Temperature [°C]

Measurement Temperature [°C]

Bratchanskii,P.E.; Komissarova,G.G.; Zhurnal Organicheskoi Khimii; vol. 11; (1975); p. 1661 - 1665,1650 - 1654, View in Reaxys 2 of 7

Density [g·cm-3]

0.9831

Measurement Temperature [°C]

Lagemann et al.; Journal of the American Chemical Society; vol. 74; (1952); p. 1602, View in Reaxys 3 of 7

Density [g·cm-3]

0.9926

Reference Temperature [°C]

Measurement Temperature [°C]

Noller; Adams; Journal of the American Chemical Society; vol. 46; (1924); p. 1892, View in Reaxys 4 of 7

Density [g·cm-3]

0.9883

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Reference Temperature [°C]

Measurement Temperature [°C]

21.7

v. Auwers; Justus Liebigs Annalen der Chemie; vol. 408; (1915); p. 244; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys 5 of 7

Density [g·cm-3]

0.99

Reference Temperature [°C]

Measurement Temperature [°C]

20.7

v. Auwers; Justus Liebigs Annalen der Chemie; vol. 408; (1915); p. 244; Chemische Berichte; vol. 49; (1916); p. 2400, View in Reaxys 6 of 7

Density [g·cm-3]

1.0053

Reference Temperature [°C]

Measurement Temperature [°C]

Density [g·cm-3]

0.988

Reference Temperature [°C]

Measurement Temperature [°C]

Klages; Chemische Berichte; vol. 35; (1902); p. 2263; Chemische Berichte; vol. 38; (1905); p. 913, View in Reaxys Chromatographic Data (3) Chromatographic Location data

References

HPLC (High performance liquid chromatography)

supporting information

Ros-Lombarda, Nicols; Vidal, Cristian; Cocina, Mara; Mors, Francisco; Garca-lvarez, Joaqun; Gonzlez-Sabn, Javier; Chemical Communications; vol. 51; nb. 54; (2015); p. 10937 - 10940, View in Reaxys

GC (Gas chroma- supporting infortography) mation

Nagaki, Aiichiro; Tsuchihashi, Yuta; Haraki, Suguru; Yoshida, Jun-ichi; Organic and Biomolecular Chemistry; vol. 13; nb. 26; (2015); p. 7140 - 7145, View in Reaxys

TLC (Thin layer chromatography)

Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys

supporting information

Compressibility (1) Description (Com- Comment (Compressibility) pressibility)

References

Adiabatic compressibility

Lagemann et al.; Journal of the American Chemical Society; vol. 74; (1952); p. 1602, View in Reaxys

aus der Schallgeschwindigkeit ermittelt bei 30gradC.

Conformation (1) Object of Investi- References gation Conformation

Barthelemy,J.F.; Jost,R.; Sommer,J.; Organic Magnetic Resonance; vol. 11; (1978); p. 438, View in Reaxys

Crystal Property Description (5) Colour & Other Location Properties colourless

References Skillinghaug, Bobo; Sköld, Christian; Rydfjord, Jonas; Svensson, Fredrik; Behrends, Malte; Sävmarker, Jonas; Sjöberg, Per J. R.; Larhed, Mats; Journal of Organic Chemistry; vol. 79; nb. 24; (2014); p. 12018 - 12032, View in Reaxys; Wang, Lianyue;

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Shang, SenSen; Li, Guosong; Ren, Lanhui; Lv, Ying; Gao, Shuang; Journal of Organic Chemistry; vol. 81; nb. 5; (2016); p. 2189 - 2193, View in Reaxys colourless

supporting information

colourless

Wu, Ji-Cheng; Gong, Lu-Bing; Xia, Yuanzhi; Song, Ren-Jie; Xie, Ye-Xiang; Li, JinHeng; Angewandte Chemie - International Edition; vol. 51; nb. 39; (2012); p. 9909 9913, View in Reaxys; Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys; Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, Qiang-Qiang; Ning, XiaoShan; Kang, Yan-Biao; Tang, Yong; Organic Letters; vol. 17; nb. 24; (2015); p. 6102 6105, View in Reaxys Salokhe; Mote; Suryavanshi; Salunkhe; Journal of the Indian Chemical Society; vol. 86; nb. 12; (2009); p. 1347 - 1351, View in Reaxys; Ushijima, Sousuke; Dohi, Souya; Moriyama, Katsuhiko; Togo, Hideo; Tetrahedron; vol. 68; nb. 5; (2012); p. 1436 - 1442, View in Reaxys

colourless

supporting information

yellow

Ueno, Satoshi; Shimizu, Ryosuke; Kuwano, Ryoichi; Angewandte Chemie, International Edition; vol. 48; (2009); p. 4543 - 4545; Angewandte Chemie; vol. 121; (2009); p. 4613 - 4615, 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 Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys

Electrochemical Characteristics (1) 1 of 1

Description (Electrochemical Characteristics)

Electrochemical characteristics given

Zhang, Kai; Wang, Huan; Wu, Laxia; Zhang, Jingbo; Lu, Jiaxing; Chinese Journal of Chemistry; vol. 28; nb. 4; (2010); p. 509 - 513, View in Reaxys Further Information (1) Description (Fur- References ther Information) Further information

Sollenberger,P.Y.; Martin,R.B.; Journal of the American Chemical Society; vol. 92; (1970); p. 4261 - 4270, View in Reaxys

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

Carlson, Rolf; Prochazka, Michal P.; Lundstedt, Torbjoern; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry; vol. 42; nb. 3; (1988); p. 145 - 156, View in Reaxys

NMR Spectroscopy (36) 1 of 36

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

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

400

Location

supporting information

Zhao, Jinwu; Liu, Li; Xiang, Shijian; Liu, Qiang; Chen, Huoji; Organic and Biomolecular Chemistry; vol. 13; nb. 20; (2015); p. 5613 - 5616, View in Reaxys; Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, Qiang-Qiang; Ning, Xiao-Shan; Kang, Yan-Biao; Tang, Yong; Organic Letters; vol. 17; nb. 24; (2015); p. 6102 - 6105, View in Reaxys; Wang, Lianyue; Shang, SenSen; Li, Guosong; Ren, Lanhui; Lv, Ying; Gao, Shuang; Journal of Organic Chemistry; vol. 81; nb. 5; (2016); p. 2189 - 2193, View in Reaxys 2 of 36

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy)

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Frequency (NMR Spectroscopy) [MHz]

101

Location

supporting information

Wang, Lianyue; Shang, SenSen; Li, Guosong; Ren, Lanhui; Lv, Ying; Gao, Shuang; Journal of Organic Chemistry; vol. 81; nb. 5; (2016); p. 2189 - 2193, View in Reaxys 3 of 36

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; Ros-Lombarda, Nicols; Vidal, Cristian; Cocina, Mara; Mors, Francisco; Garca-lvarez, Joaqun; Gonzlez-Sabn, Javier; Chemical Communications; vol. 51; nb. 54; (2015); p. 10937 10940, View in Reaxys 4 of 36

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)

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

500

Location

supporting information

Wu, Ji-Cheng; Gong, Lu-Bing; Xia, Yuanzhi; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng; Angewandte Chemie International Edition; vol. 51; nb. 39; (2012); p. 9909 - 9913, View in Reaxys; Zhang, Guofu; Lei, Jie; Han, Xingwang; Luan, Yuxin; Ding, Chengrong; Shan, Shang; Synlett; vol. 26; nb. 6; (2015); p. 779 - 784, View in Reaxys 6 of 36

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

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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

Zhao, Jinwu; Liu, Li; Xiang, Shijian; Liu, Qiang; Chen, Huoji; Organic and Biomolecular Chemistry; vol. 13; nb. 20; (2015); p. 5613 - 5616, View in Reaxys 8 of 36

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

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

400

Location

supporting information

Ueno, Satoshi; Shimizu, Ryosuke; Kuwano, Ryoichi; Angewandte Chemie, International Edition; vol. 48; (2009); p. 4543 - 4545; Angewandte Chemie; vol. 121; (2009); p. 4613 - 4615, View in Reaxys; Skillinghaug, Bobo; Sköld, Christian; Rydfjord, Jonas; Svensson, Fredrik; Behrends, Malte; Sävmarker, Jonas; Sjöberg, Per J. R.; Larhed, Mats; Journal of Organic Chemistry; vol. 79; nb. 24; (2014); p. 12018 - 12032, View in Reaxys 9 of 36

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

Ueno, Satoshi; Shimizu, Ryosuke; Kuwano, Ryoichi; Angewandte Chemie, International Edition; vol. 48; (2009); p. 4543 - 4545; Angewandte Chemie; vol. 121; (2009); p. 4613 - 4615, View in Reaxys; Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys 10 of 36

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

Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys

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11 of 36

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

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

400

Karunakaran; Balachandran; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 128; (2014); p. 1 - 14, View in Reaxys 12 of 36

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Karunakaran; Balachandran; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 128; (2014); p. 1 - 14, View in Reaxys 13 of 36

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

13C

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

101.5

Location

supporting information

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

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

400

Ushijima, Sousuke; Dohi, Souya; Moriyama, Katsuhiko; Togo, Hideo; Tetrahedron; vol. 68; nb. 5; (2012); p. 1436 - 1442, View in Reaxys 15 of 36

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

13C

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

100

Ushijima, Sousuke; Dohi, Souya; Moriyama, Katsuhiko; Togo, Hideo; Tetrahedron; vol. 68; nb. 5; (2012); p. 1436 - 1442, View in Reaxys 16 of 36

Description (NMR Spec- Chemical shifts troscopy)

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Nucleus (NMR Spectroscopy)

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

400

Location

supporting information

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys; Zhang, Zhihui; Lindale, Matthew G.; Liebeskind, Lanny S.; Journal of the American Chemical Society; vol. 133; nb. 16; (2011); p. 6403 - 6410, View in Reaxys 17 of 36

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

13C

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

100

Location

supporting information

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys 18 of 36

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

13C

Location

supporting information

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys 19 of 36

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

Location

supporting information

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys 20 of 36

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

Solvents (NMR Spectro- chloroform-d1 scopy) Salokhe; Mote; Suryavanshi; Salunkhe; Journal of the Indian Chemical Society; vol. 86; nb. 12; (2009); p. 1347 1351, View in Reaxys 21 of 36

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

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

400

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Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis; Tetrahedron; vol. 63; nb. 52; (2007); p. 12917 12926, View in Reaxys 22 of 36

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

13C

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

100

Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis; Tetrahedron; vol. 63; nb. 52; (2007); p. 12917 12926, View in Reaxys 23 of 36

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

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

300

Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys 24 of 36

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

300

Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys 25 of 36

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

13C

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

Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys 26 of 36

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

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

300

Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys 27 of 36

Description (NMR Spec- Spectrum troscopy)

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Nucleus (NMR Spectroscopy)

13C

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

Katritzky, Alan R.; Le, Khanh N. B.; Khelashvili, Levan; Mohapatra, Prabhu P.; Journal of Organic Chemistry; vol. 71; nb. 26; (2006); p. 9861 - 9864, View in Reaxys 28 of 36

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

Solvents (NMR Spectro- CDCl3 scopy) Gompper, Rudolf; Vogt, Hans-Hubert; Chemische Berichte; vol. 114; nb. 8; (1981); p. 2866 - 2883, View in Reaxys; Nakamura, Hideo; Kashiwara, Yuki; Arata, Kazushi; Bulletin of the Chemical Society of Japan; vol. 76; nb. 5; (2003); p. 1071 - 1074, View in Reaxys 29 of 36

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- CDCl3 scopy) Nakamura, Hideo; Kashiwara, Yuki; Arata, Kazushi; Bulletin of the Chemical Society of Japan; vol. 76; nb. 5; (2003); p. 1071 - 1074, View in Reaxys 30 of 36

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

13C

Solvents (NMR Spectro- CDCl3 scopy) Olivato, Paulo R.; Filho, Rubens R.; Lopes, Julio C. D.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 92; nb. 1-4; (1994); p. 109 - 128, View in Reaxys 31 of 36

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

Solvents (NMR Spectro- CCl4 scopy) Ono; Tamura; Kaji; Journal of the American Chemical Society; vol. 105; nb. 12; (1983); p. 4017 - 4022, View in Reaxys 32 of 36

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CCl4 scopy) Comment (NMR Spectroscopy)

1H-1H

Ono; Tamura; Kaji; Journal of the American Chemical Society; vol. 105; nb. 12; (1983); p. 4017 - 4022, View in Reaxys 33 of 36

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

13C

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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 34 of 36

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

13C

Solvents (NMR Spectro- various solvent(s); fluorosulfonic acid scopy) Temperature (NMR Spectroscopy) [°C]

-70

Drakenberg, Torbjoern; Sommer, Jean; Jost, Roland; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1980); p. 363 - 369, View in Reaxys 35 of 36

Description (NMR Spec- NMR troscopy) Barthelemy,J.F.; Jost,R.; Sommer,J.; Organic Magnetic Resonance; vol. 11; (1978); p. 438, View in Reaxys; Dimmel; Gharpure; Journal of the American Chemical Society; vol. 93; (1971); p. 3991,3994, View in Reaxys; Levy; Winstein; Journal of the American Chemical Society; vol. 90; (1968); p. 3574, View in Reaxys

36 of 36

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

DePuy,C.H. et al.; Journal of the American Chemical Society; vol. 95; nb. 2; (1973); p. 477 - 481, View in Reaxys IR Spectroscopy (10) 1 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Location

supporting information

Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys 2 of 10

Description (IR Spectroscopy)

Bands; Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Karunakaran; Balachandran; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 128; (2014); p. 1 - 14, View in Reaxys 3 of 10

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

neat liquid

Salokhe; Mote; Suryavanshi; Salunkhe; Journal of the Indian Chemical Society; vol. 86; nb. 12; (2009); p. 1347 1351, View in Reaxys; Ushijima, Sousuke; Dohi, Souya; Moriyama, Katsuhiko; Togo, Hideo; Tetrahedron; vol. 68; nb. 5; (2012); p. 1436 - 1442, View in Reaxys 4 of 10

Description (IR Spectroscopy)

Spectrum

Location

supporting information

Comment (IR Spectroscopy)

neat (no solvent)

Zhang, Zhihui; Lindale, Matthew G.; Liebeskind, Lanny S.; Journal of the American Chemical Society; vol. 133; nb. 16; (2011); p. 6403 - 6410, View in Reaxys

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5 of 10

Description (IR Spectroscopy)

Bands

Location

supporting information

Comment (IR Spectroscopy)

neat (no solvent)

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys 6 of 10

Description (IR Spectroscopy)

Bands

Rao, Maddali L.N.; Venkatesh, Varadhachari; Banerjee, Debasis; Tetrahedron; vol. 63; nb. 52; (2007); p. 12917 12926, View in Reaxys 7 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

hexane

Comment (IR Spectroscopy)

1696 cm**(-1)

Olivato, Paulo R.; Filho, Rubens R.; Lopes, Julio C. D.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 92; nb. 1-4; (1994); p. 109 - 128, View in Reaxys 8 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

1684 cm**(-1)

Olivato, Paulo R.; Filho, Rubens R.; Lopes, Julio C. D.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 92; nb. 1-4; (1994); p. 109 - 128, View in Reaxys 9 of 10

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

1689 cm**(-1)

Olivato, Paulo R.; Filho, Rubens R.; Lopes, Julio C. D.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 92; nb. 1-4; (1994); p. 109 - 128, View in Reaxys 10 of 10

Description (IR Spectroscopy)

Pasynkiewicz et al.; Roczniki Chemii; vol. 38; (1964); p. 67,77, View in Reaxys; Fernandez Gonzalez et al.; Anales de Quimica (1968-1979); vol. 70; (1974); p. 917,919, View in Reaxys Mass Spectrometry (7) Description (Mass Location Spectrometry)

References

electron impact (EI); spectrum

supporting information

Wu, Ji-Cheng; Gong, Lu-Bing; Xia, Yuanzhi; Song, Ren-Jie; Xie, Ye-Xiang; Li, JinHeng; Angewandte Chemie - International Edition; vol. 51; nb. 39; (2012); p. 9909 9913, View in Reaxys; Zhao, Jinwu; Liu, Li; Xiang, Shijian; Liu, Qiang; Chen, Huoji; Organic and Biomolecular Chemistry; vol. 13; nb. 20; (2015); p. 5613 - 5616, View in Reaxys

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

supporting information

Li, Yang; Xue, Dong; Lu, Wei; Wang, Chao; Liu, Zhao-Tie; Xiao, Jianliang; Organic Letters; vol. 16; nb. 1; (2014); p. 66 - 69, View in Reaxys

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EI (Electron impact); Spectrum

supporting information

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys

HRMS (High resolution mass spectrometry); Spectrum

supporting information

Liu, Mingcui; Hyder, Zeynab; Sun, Yawei; Tang, Weijun; Xu, Lijin; Xiao, Jianliang; Organic and Biomolecular Chemistry; vol. 8; nb. 9; (2010); p. 2012 - 2015, View in Reaxys

HRMS (High resolution mass spectrometry); ESI (Electrospray ionisation); Spectrum

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

Spectrum

Salokhe; Mote; Suryavanshi; Salunkhe; Journal of the Indian Chemical Society; vol. 86; nb. 12; (2009); p. 1347 - 1351, View in Reaxys

spectrum

Shurukhin, Yu. V.; Klyuev, N. A.; Grandberg, I. I.; Journal of Organic Chemistry USSR (English Translation); vol. 23; nb. 5; (1987); p. 960 - 965; Zhurnal Organicheskoi Khimii; vol. 23; nb. 5; (1987); p. 1063 - 1069, View in Reaxys; Hanack, Michael; Weber, Erhard; Chemische Berichte; vol. 116; nb. 2; (1983); p. 777 - 797, View in Reaxys

UV/VIS Spectroscopy (5) 1 of 5

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

hexane

Absorption Maxima (UV/ 310; 321 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

63; 66

Olivato, Paulo R.; Filho, Rubens R.; Lopes, Julio C. D.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 92; nb. 1-4; (1994); p. 109 - 128, View in Reaxys 2 of 5

Description (UV/VIS Spectroscopy)

UV/VIS

Seth-Paul; Vermylen-De Winter; Journal of Molecular Structure; vol. 4; (1969); p. 303,304, View in Reaxys 3 of 5

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Absorption Maxima (UV/ 249 VIS) [nm] Forbes; Mueller; Canadian Journal of Chemistry; vol. 33; (1955); p. 1145,1153, View in Reaxys 4 of 5

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

220 - 360 nm

Grammaticakis; Bulletin de la Societe Chimique de France; (1953); p. 865,866, View in Reaxys 5 of 5

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

cyclohexane

Comment (UV/VIS Spectroscopy)

220 - 360 nm

Grammaticakis; Bulletin de la Societe Chimique de France; (1953); p. 865,866, View in Reaxys

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Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Spectrum; Bands

Karunakaran; Balachandran; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 128; (2014); p. 1 - 14, View in Reaxys

Luminescence Spectroscopy (1) Description (LuReferences minescence Spectroscopy) Luminescence lifetime

Kanamara et al.; Chemical Physics Letters; vol. 26; (1974); p. 1,4, View in Reaxys

Phosphorescence Spectroscopy (1) Description References (Phosphorescence Spectroscopy) Phosphorescence Kanamara et al.; Chemical Physics Letters; vol. 26; (1974); p. 1,4, View in Reaxys Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

Bioactivities present

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Reaxys ID 18894611 View in Reaxys

2/2 Chemical Name: 4'-methyl-d3-propiophenone Linear Structure Formula: C10H9 (2)H3O Molecular Formula: C10H12O Molecular Weight: 151.181 InChI Key: PATYHUUYADUHQS-FIBGUPNXSA-N Note:

O 2H

2H 2H

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