Valerophenone (1-Phenyl-1-pentanone) [C11H14O] by Asch

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2018-05-06 21h:48m:41s (UTC)

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Reaxys ID 1907717 View in Reaxys

1/1 CAS Registry Number: 1009-14-9 Chemical Name: phenyl butyl ketone; valerophenone; Valerophenon Linear Structure Formula: (C6H5)COC4H9 Molecular Formula: C11H14O Molecular Weight: 162.232 Type of Substance: isocyclic InChI Key: XKGLSKVNOSHTAD-UHFFFAOYSA-N Note:

Substance Label (116) Label References 3b

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S-1

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10g

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3ha; 3ja

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6m; 6l

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en 2 t3 sm

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3ga

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6; 6d

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3a; n-BuCOPh

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5; A

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13b

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10ab

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3ea

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4a, R1=n-Bu

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11a

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Tab 1, substrate

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Tab. 2, entry 2, prod.

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Deshmukh; Jadhav, Sunil; Anbhule; Mali; Suryawanshi; Journal of Chemical Research; nb. 4; (2006); p. 248 - 250, View in Reaxys

Substrate, Tab.2, run 4

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PhCO-n-C4H9

Ren, Yunlai; Tian, Xinzhe; Sun, Kunpeng; Xu, Jian; Xu, Xianlun; Lu, Shijie; Tetrahedron Letters; vol. 47; nb. 4; (2006); p. 463 - 465, View in Reaxys

Utsukihara, Takamitsu; Misumi, Osami; Kato, Nakahide; Kuroiwa, Tsuneyoshi; Horiuchi, C. Akira; Tetrahedron Asymmetry; vol. 17; nb. 8; (2006); p. 1179 - 1185, View in Reaxys

Thiot, Carine; Wagner, Alain; Mioskowski, Charles; Organic Letters; vol. 8; nb. 26; (2006); p. 5939 - 5942, View in Reaxys

Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 5076, View in Reaxys

Tab. 4, entry 10

Kantam, M. Lakshmi; Rao, B. Purna Chandra; Choudary; Sreedhar; Advanced Synthesis and Catalysis; vol. 348; nb. 14; (2006); p. 1970 - 1976, View in Reaxys

Uddin, Md. Jashim; Rao, P. N. Praveen; McDonald, Robert; Knaus, Edward E.; Journal of Medicinal Chemistry; vol. 47; nb. 24; (2004); p. 6108 - 6111, View in Reaxys; Uddin, Md. Jashim; Rao, P.N. Praveen; Knaus, Edward E.; Bioorganic and Medicinal Chemistry; vol. 13; nb. 2; (2005); p. 417 - 424, View in Reaxys

tab3, 1, entry1

Aida, Toshio; Kuboki, Norikatsu; Kato, Kenji; Uchikawa, Wataru; Matsuno, Chikashi; Okamoto, Sentaro; Tetrahedron Letters; vol. 46; nb. 10; (2005); p. 1667 - 1669, View in Reaxys

3, R = Bu

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

Di Nunno, Leonardo; Scilimati, Antonio; Vitale, Paola; Tetrahedron; vol. 61; nb. 10; (2005); p. 2623 - 2630, View in Reaxys

4gd

Yamane, Motoki; Kubota, Yuko; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 78; nb. 2; (2005); p. 331 - 340, View in Reaxys

educt T.3 col.1 run 5

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

PhCO(CH2)3CH3

Saito, Bunnai; Katsuki, Tsutomu; Synlett; nb. 9; (2004); p. 1557 - 1560, View in Reaxys

C6H5CO(CH2)3C H3

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

Masumoto, Shuji; Suzuki, Masato; Kanai, Motomu; Shibasaki, Masakatsu; Tetrahedron; vol. 60; nb. 46 SPEC. ISS.; (2004); p. 10497 - 10504, View in Reaxys

tab. 1, entry 10,ketone

Pan, Zhen-Liang; Liu, Xue-Yuan; Liang, Yong-Min; Tetrahedron Letters; vol. 45; nb. 21; (2004); p. 4101 - 4104, 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

Table 1, prod. 2

Labeeuw, Olivier; Phansavath, Phannarath; Genet, Jean-Pierre; Tetrahedron Letters; vol. 45; nb. 38; (2004); p. 7107 - 7110, View in Reaxys

ketone, entry 10

Hegarty, Philip; Lau, Raymond; Motherwell, William B.; Tetrahedron Letters; vol. 44; nb. 9; (2003); p. 1851 - 1853, View in Reaxys

byproduct of 3i

Miller, Joseph A.; Dankwardt, John W.; Tetrahedron Letters; vol. 44; nb. 9; (2003); p. 1907 - 1910, View in Reaxys

Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys

1 for 4c

Wang, Fei; Wang, Shao Hua; Tu, Yong Qiang; Ren, Shi Kuo; Tetrahedron Asymmetry; vol. 14; nb. 15; (2003); p. 2189 - 2193, View in Reaxys

37a

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

1, Ar = Ph, R = Pr

Lopez-Alvarado; Avendano; Synthesis; nb. 1; (2002); p. 104 - 110, View in Reaxys

Yadav, Ashok K.; Singh, Arpita; Bulletin of the Chemical Society of Japan; vol. 75; nb. 3; (2002); p. 587 - 588, View in Reaxys

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2018-05-06 21:58:58

Eisch, John J.; Gitua, John N.; European Journal of Inorganic Chemistry; nb. 12; (2002); p. 3091 - 3096, View in Reaxys

ketone from 18

Wu, Yikang; Shen, Xin; Huang, Jia-Hui; Tang, Chao-Jun; Liu, He-Hua; Hu, Qi; Tetrahedron Letters; vol. 43; nb. 36; (2002); p. 6443 - 6445, View in Reaxys

Jackson, Mary M.; Leverett, Carolyn; Toczko, Jennifer F.; Roberts, John C.; Journal of Organic Chemistry; vol. 67; nb. 14; (2002); p. 5032 - 5035, View in Reaxys

Yasuda, Makoto; Hirata, Kay; Nishino, Mitsuyoshi; Yamamoto, Akihiro; Baba, Akio; Journal of the American Chemical Society; vol. 124; nb. 45; (2002); p. 13442 - 13447, View in Reaxys

Eisch, John J.; Gitua, John N.; Otieno, Peter O.; Shi, Xian; Journal of Organometallic Chemistry; vol. 624; nb. 1-2; (2001); p. 229 - 238, View in Reaxys

Terao, Yoshito; Kametani, Yoko; Wakui, Hiroyuki; Satoh, Tetsuya; Miura, Masahiro; Nomura, Masakatsu; Tetrahedron; vol. 57; nb. 28; (2001); p. 5967 - 5974, View in Reaxys

t.1,pr.,entry 8

Mikami, Satoshi; Fujita, Kazuya; Nakamura, Tomoaki; Yorimitsu, Hideki; Shinokubo, Hiroshi; Matsubara, Seijiro; Oshima, Koichiro; Organic Letters; vol. 3; nb. 12; (2001); p. 1853 - 1855, View in Reaxys

Nudelman; Garcia; Journal of Organic Chemistry; vol. 66; nb. 4; (2001); p. 1387 - 1394, View in Reaxys

Hasegawa, Tadashi; Kajiyama, Masaaki; Yamazaki, Yuko; Journal of Physical Organic Chemistry; vol. 13; nb. 8; (2000); p. 437 - 442, View in Reaxys

Tab 1, col 1, entry 3 Schmitzer; Perez; Rico-Lattes; Lattes; Tetrahedron Letters; vol. 40; nb. 15; (1999); p. 2947 - 2950, View in Reaxys 3 ketone

Ogawa, Akiya; Takeuchi, Hiroki; Hirao, Toshikazu; Tetrahedron Letters; vol. 40; nb. 39; (1999); p. 7113 - 7114, View in Reaxys

Table 1. Product 7

Haddach, Mustapha; McCarthy, James R.; Tetrahedron Letters; vol. 40; nb. 16; (1999); p. 3109 - 3112, View in Reaxys

Table 2, entry 6

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

Kelly, David R.; Mish'al, Adel K.; Tetrahedron Asymmetry; vol. 10; nb. 18; (1999); p. 3627 - 3648, View in Reaxys

10c

Gupton, John T.; Krumpe, Keith E.; Burnham, Bruce S.; Dwornik, Kate A.; Petrich, Scott A.; Du, Karen X.; Bruce, Marc A.; Vu, Phong; Vargas, Marian; Keertikar, Kartik M.; Hosein, Kirsten N.; Jones, Claude R.; Sikorski, James A.; Tetrahedron; vol. 54; nb. 20; (1998); p. 5075 - 5088, View in Reaxys

3aa

Alonso, Francisco; Lorenzo, Emilio; Yus, Miguel; Journal of Organic Chemistry; vol. 61; nb. 17; (1996); p. 6058 6059, View in Reaxys

Patent-Specific Data (5) Prophetic ComLocation in Patent pound

References Patent; Changzhou University; Zhou Weiyou; Dai Xuan; He Mingyang; Sun Fuan; Pan Jiugao; (8 pag.); CN107176898; (2017); (A) Chinese, View in Reaxys

Page/Page column

Patent; NIPPON CHEMICAL INDUSTRIAL CO., LTD.; Zhang, Wanbin; Liu, Delong; Guo, Hui; Liu, Yangang; US2013/53574; (2013); (A1) English, View in Reaxys Patent; Walsh, Patrick J.; US2003/191345; (2003); (A1) English, View in Reaxys

Claim

prophetic product

Patent; Deutsche Gold- und Silber-Scheideanstalt vormals Roessler; US4175195; (1979); (A) English, View in Reaxys; Patent; Rhone-Poulenc Chimie De Base; US4521614; (1985); (A) English, View in Reaxys; Patent; Mitsui Petrochemical Industries Ltd.; US4192958; (1980); (A) English, View in Reaxys Patent; Schering Corporation; US4376769; (1983); (A) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

3.29

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

17.07

Lipinski Number

Veber Number

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Derivative (20) Comment (Derivative)

Derivative

References

1,1,6,6-Tetraphenyl-hexa-2,4diyne-1,6-diol; compound with 1phenyl-pentan-1one

Vicens, Jacques; Molecular Crystals and Liquid Crystals (1969-1991); vol. 187; (1990); p. 115 122, View in Reaxys

2C80H96O8*3C11 H14O

Vicens, Jacques; Molecular Crystals and Liquid Crystals (1969-1991); vol. 187; (1990); p. 115 122, View in Reaxys

valerophenone-(2,4-dinitrophenylhydrazone)

Hlasta, Dennis J.; Court, John J.; Tetrahedron Letters; vol. 30; nb. 14; (1989); p. 1773 - 1776, View in Reaxys; Cook, Lawrence S.; Wakefield, Basil J.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1980); p. 2392 - 2397, View in Reaxys

2,4-Dinitrophenylhydrazon: F.: 126.4-126.6grad

Meyers,A.I. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 1372 - 1379, View in Reaxys

2,4-Dinitrophenylhydrazon: F:167.8grad

Olah et al.; Synthesis; (1977); p. 677, View in Reaxys

2,4-DNP: F: 163-164grad (Zers.)

Bergbreiter; Killough; Journal of Organic Chemistry; vol. 41; (1976); p. 2750, View in Reaxys

2,4-Dinitrophenylhydrazon: F: 164.0-164.6

Levine; Karten; Journal of Organic Chemistry; vol. 41; nb. 7; (1976); p. 1176,1178, View in Reaxys

2,4-Dinitrophenylhydrazon: F.: 164-165grad

Gassman,P.G.; Richmond,G.D.; Journal of Organic Chemistry; vol. 31; (1966); p. 2355 - 2357, View in Reaxys

2,4-Dinitrophenylhydrazon: F.: 166grad (korr.)

Berlin et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 226,227, View in Reaxys

2,4-Dinitrophenylhydrazon: F.: 166-167grad

Ulbricht; Journal of the Chemical Society; (1965); p. 6649, View in Reaxys

2,4-dinitro-phenylhydrazone(mp: 167-168 degree Celsius)

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

4-nitro-phenylhydrazone (mp: 121-122 degree )

Fahim; Mustafa; Journal of the Chemical Society; (1949); p. 519, View in Reaxys

2.4-dinitro-phenylhydrazone (mp: 165-166 degree )

Blicke; Sheets; Journal of the American Chemical Society; vol. 71; (1949); p. 4010, View in Reaxys

semicarbazone (mp: 165-166 degree )

Blicke; Sheets; Journal of the American Chemical Society; vol. 71; (1949); p. 4010, View in Reaxys

4-carboxy-phenylhydrazone (mp: 156-157 degree )

Veibel; Acta Chemica Scandinavica (1947-1973); vol. 1; (1947); p. 54,63, View in Reaxys; Veibel; Blaaberg; Stevens; Dansk Tidsskrift for Farmaci; vol. 14; (1940); p. 188; Chem.Abstr.; (1942); p. 2495, View in Reaxys

semicarbazone (mp: 166 degree )

Evans; Journal of the Chemical Society; (1936); p. 785,788, View in Reaxys; Tiffeneau; Levy; Bulletin de la Societe Chimique de France; vol. <4> 49; (1931); p. 1847,1851, View in Reaxys; Ju; Shen; Wood; Journal of the Institute of Petroleum; vol. 26; (1940); p. 514,515, View in Reaxys

semicarbazone (mp: 166,5 degree )

Adamson; Kenner; Journal of the Chemical Society; (1939); p. 181,185, View in Reaxys

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semicarbazone (mp: 164 degree )

Biquard; Bulletin de la Societe Chimique de France; vol. <5>5; (1938); p. 209,211, View in Reaxys

2.4-dinitro-phenylhydrazone (mp: 166 degree )

Evans; Journal of the Chemical Society; (1936); p. 785,788, View in Reaxys

semicarbazone (mp: 163 degree )

Liepins; Acta latviens. Chem.; vol. 1; (1929); p. 145,204, 208, View in Reaxys

Melting Point (2) 1 of 2

Melting Point [°C]

-9.4

Zook; Rellahan; Journal of the American Chemical Society; vol. 79; (1957); p. 881,885, View in Reaxys 2 of 2

Melting Point [°C]

-9

Ju; Shen; Wood; Journal of the Institute of Petroleum; vol. 26; (1940); p. 514,515, View in Reaxys Boiling Point (46) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

Comment (Boiling Point)

References

82 - 86

0.5

128 - 132

Bures, Edward; Nieman, James A.; Yu, Shuyuan; Spinazze, Patrick G.; Bontront, Jean-Louis J.; Hunt, Ian R.; Rauk, Arvi; Keay, Brian A.; Journal of Organic Chemistry; vol. 62; nb. 25; (1997); p. 8750 - 8759, View in Reaxys

130

Ohta, Shunsaku; Hayakawa, Satoshi; Nishimura, Kazuko; Okamoto, Masao; Chemical and Pharmaceutical Bulletin; vol. 35; nb. 3; (1987); p. 1058 - 1069, View in Reaxys

90 - 91

2.8

Olah, George A.; Surya Prakash, G. K.; Arvanaghi, Massoud; Synthesis; nb. 3; (1984); p. 228 - 230, View in Reaxys

74 - 83

0.5

Richey, Herman G.; Erickson, Wayne F.; Journal of Organic Chemistry; vol. 48; nb. 23; (1983); p. 4349 - 4357, View in Reaxys

92 - 94

Marks, Maurice J.; Walborsky, Harry M.; Journal of Organic Chemistry; vol. 47; nb. 1; (1982); p. 52 - 56, View in Reaxys

60 - 65

0.05

Parham; Bradsher; Edgar; Journal of Organic Chemistry; vol. 46; nb. 6; (1981); p. 1057 - 1061, View in Reaxys

116 - 118

Deuchert,K. et al.; Chemische Berichte; vol. 112; (1979); p. 2045 - 2061, View in Reaxys

136

Cahiez,G. et al.; Synthesis; (1977); p. 130 - 133, View in Reaxys

129

Cahiez,G. et al.; Synthesis; (1977); p. 130 - 133, View in Reaxys

136 - 139

Olah et al.; Synthesis; (1977); p. 677, View in Reaxys

146 - 150

Bergbreiter; Killough; Journal of Organic Chemistry; vol. 41; (1976); p. 2750, View in Reaxys

106

Doiuchi; Minoura; Israel Journal of Chemistry; vol. 15; (1976); p. 84,85,87, View in Reaxys

135 - 140

Chauhan,S.M.S.; Junjappa,H.; Tetrahedron; vol. 32; (1976); p. 1911 1916, View in Reaxys

84 - 88

Levine; Karten; Journal of Organic Chemistry; vol. 41; nb. 7; (1976); p. 1176,1178, View in Reaxys

128

Pornet,J.; Miginiac,L.; Bulletin de la Societe Chimique de France; (1975); p. 1849 - 1854, View in Reaxys

125

Pornet,J.; Miginiac,L.; Bulletin de la Societe Chimique de France; (1975); p. 841 - 845, View in Reaxys

120 - 121

Compagnon,P.-L. et al.; Bulletin de la Societe Chimique de France; (1975); p. 779 - 782, View in Reaxys

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2018-05-06 21:58:58

106 - 107

Bagnell et al.; Australian Journal of Chemistry; vol. 28; (1975); p. 821, View in Reaxys

0.1

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

126 - 128

Buchanan; Davis; Journal of the Chemical Society [Section] C: Organic; (1967); p. 1340, View in Reaxys

125

Lee,J.B.; Tetrahedron Letters; nb. 46; (1966); p. 5669 - 5672, View in Reaxys; Morcillo et al.; Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica; vol. 60; (1964); p. 199,203, View in Reaxys

82 - 86

0.5

Gassman,P.G.; Richmond,G.D.; Journal of Organic Chemistry; vol. 31; (1966); p. 2355 - 2357, View in Reaxys

113 - 114

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

237 - 240

740

Berlin et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 226,227, View in Reaxys

120

Ulbricht; Journal of the Chemical Society; (1965); p. 6649, View in Reaxys

Iwanowa et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3109,3148, View in Reaxys

126 - 128

Schuikin et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1964); p. 694; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1964); p. 747, View in Reaxys

0.05

Badger et al.; Journal of the Chemical Society; (1959); p. 440,442, View in Reaxys

109

6.5

Zook; Rellahan; Journal of the American Chemical Society; vol. 79; (1957); p. 881,885, View in Reaxys

110 - 111

3.5

Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys

117 - 118

Blicke; Sheets; Journal of the American Chemical Society; vol. 71; (1949); p. 4010, View in Reaxys

139 - 141

Hauser; Humphlett; Weiss; Journal of the American Chemical Society; vol. 70; (1948); p. 426, View in Reaxys

122

Vavon; Angelo; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 224; (1947); p. 1435, View in Reaxys

161

Gilman; Meals; Journal of Organic Chemistry; vol. 8; (1943); p. 126,139, View in Reaxys

126 - 128

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

116

Ju; Shen; Wood; Journal of the Institute of Petroleum; vol. 26; (1940); p. 514,515, View in Reaxys

130

Biquard; Bulletin de la Societe Chimique de France; vol. <5>5; (1938); p. 209,211, View in Reaxys

130

Evans; Journal of the Chemical Society; (1936); p. 785,788, View in Reaxys

120

Liepins; Acta latviens. Chem.; vol. 1; (1929); p. 145,208, View in Reaxys

118 - 119

Liepins; Acta latviens. Chem.; vol. 1; (1929); p. 145,204, View in Reaxys

242

131 - 133

Mailhe; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 157; (1913); p. 221; Bulletin de la Societe Chimique de France; vol. <4> 15; (1914); p. 325, View in Reaxys 13

Haller; Bauer; Annales de Chimie (Cachan, France); vol. <8> 28; (1913); p. 407; Annales de Chimie (Cachan, France); vol. <9> 1; (1914); p. 27, View in Reaxys

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144.5

Layraud; Bulletin de la Societe Chimique de France; vol. <3> 35; (1906); p. 233, View in Reaxys

248.5

Layraud; Bulletin de la Societe Chimique de France; vol. <3> 35; (1906); p. 233, View in Reaxys

236 - 238

720

fluessig.

Perkin; Calman; Journal of the Chemical Society; vol. 49; (1886); p. 160, View in Reaxys

Refractive Index (19) Refractive Index Wavelength (ReTemperature (Refractive Index) [nm] fractive Index) [°C]

References

1.5163

589

Miyaura et al.; Tetrahedron Letters; (1977); p. 173, View in Reaxys

1.5182 - 1.5178

589

Cahiez,G. et al.; Synthesis; (1977); p. 130 - 133, View in Reaxys

1.5145

589

Compagnon,P.-L. et al.; Bulletin de la Societe Chimique de France; (1975); p. 779 - 782, View in Reaxys

1.51

589

Pornet,J.; Miginiac,L.; Bulletin de la Societe Chimique de France; (1975); p. 841 - 845, View in Reaxys; Pornet,J.; Miginiac,L.; Bulletin de la Societe Chimique de France; (1975); p. 1849 - 1854, View in Reaxys

1.5122

589

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

1.5344

589

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

1.518

589

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

1.5146

589

Hauser; Humphlett; Weiss; Journal of the American Chemical Society; vol. 70; (1948); p. 426, View in Reaxys; Schuikin et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1964); p. 694; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1964); p. 747, View in Reaxys

1.5149

589

Kupin; Petrow; J. Gen. Chem. USSR (Engl. Transl.); vol. 31; (1961); p. 2958,2758; Chem.Abstr.; vol. 57; nb. 2125; (1962), View in Reaxys; Morcillo et al.; Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica; vol. 60; (1964); p. 199,203, View in Reaxys

1.5287

589

Iwanowa et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3109,3148, View in Reaxys

1.5122

589

Lascombe et al.; Bulletin de la Societe Chimique de France; (1957); p. 773, View in Reaxys; Zook; Rellahan; Journal of the American Chemical Society; vol. 79; (1957); p. 881,885, View in Reaxys

1.50798

656.3

Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys

1.5125

589

Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys

1.5142

656.3

Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys

1.5188

589

Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys

1.5148

589

Ju; Shen; Wood; Journal of the Institute of Petroleum; vol. 26; (1940); p. 514,515, View in Reaxys

1.5109

589

Ju; Shen; Wood; Journal of the Institute of Petroleum; vol. 26; (1940); p. 514,515, View in Reaxys

1.515

589

Evans; Journal of the Chemical Society; (1936); p. 785,788, View in Reaxys

1.5152

589

Layraud; Bulletin de la Societe Chimique de France; vol. <3> 35; (1906); p. 233, View in Reaxys

Density (9) 1 of 9

Density [g·cm-3]

0.96889

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Measurement Temperature 25 [°C] Dusart et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 73; (1976); p. 832,833, View in Reaxys 2 of 9

Density [g·cm-3]

0.967

Reference Temperature [°C]

Measurement Temperature 20 [°C] Pornet,J.; Miginiac,L.; Bulletin de la Societe Chimique de France; (1975); p. 841 - 845, View in Reaxys; Pornet,J.; Miginiac,L.; Bulletin de la Societe Chimique de France; (1975); p. 1849 - 1854, View in Reaxys 3 of 9

Density [g·cm-3]

0.9716

Reference Temperature [°C]

Measurement Temperature 20 [°C] Kupin; Zhurnal Organicheskoi Khimii; vol. 1; (1965); p. 1206,1217, View in Reaxys 4 of 9

Density [g·cm-3]

0.992

Reference Temperature [°C]

Measurement Temperature 20 [°C] Iwanowa et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3109,3148, View in Reaxys 5 of 9

Density [g·cm-3]

0.9743

Reference Temperature [°C]

Measurement Temperature 20 [°C] Kupin; Petrow; J. Gen. Chem. USSR (Engl. Transl.); vol. 31; (1961); p. 2958,2758; Chem.Abstr.; vol. 57; nb. 2125; (1962), View in Reaxys 6 of 9

Density [g·cm-3]

0.96481

Reference Temperature [°C]

Measurement Temperature 30 [°C] Lagemann et al.; Journal of the American Chemical Society; vol. 73; (1951); p. 3213, View in Reaxys 7 of 9

Density [g·cm-3]

0.97552

Reference Temperature [°C]

Measurement Temperature 30 [°C] Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys 8 of 9

Density [g·cm-3]

0.98777

Reference Temperature [°C]

Measurement Temperature 15 [°C] Bruylants; Bulletin des Societes Chimiques Belges; vol. 59; (1950); p. 421,425, View in Reaxys 9 of 9

Density [g·cm-3]

0.9234 - 0.9731

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Reference Temperature [°C]

Measurement Temperature 19.8 - 81 [°C] Ju; Shen; Wood; Journal of the Institute of Petroleum; vol. 26; (1940); p. 514,515, View in Reaxys Adsorption (MCS) (3) 1 of 3

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Partner (Adsorption (MCS))

Li X zeolite

Ramamurthy; Corbin; Johnston; Journal of the American Chemical Society; vol. 114; nb. 10; (1992); p. 3870 - 3882, View in Reaxys 2 of 3

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Partner (Adsorption (MCS))

silicalite

Wilkinson, F.; Willsher, C. J.; Tetrahedron; vol. 43; nb. 7; (1987); p. 1197 - 1210, View in Reaxys 3 of 3

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Partner (Adsorption (MCS))

Silicalite

Wilkinson, F.; Willsher, C. J.; Casal, H. L.; Johnston, Linda J.; Scaiano, J. C.; Canadian Journal of Chemistry; vol. 64; (1986); p. 539 - 544, View in Reaxys Association (MCS) (7) 1 of 7

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

acetonitrile; lithium dodecyl sulphate

Ahuja, Eric S.; Foley, Joe P.; Analytical Chemistry; vol. 67; nb. 14; (1995); p. 2315 - 2324, View in Reaxys 2 of 7

Description (Association (MCS))

Further physical properties of the complex

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

acetonitrile; sodium dodecyl-sulfate

Ahuja, Eric S.; Foley, Joe P.; Analytical Chemistry; vol. 67; nb. 14; (1995); p. 2315 - 2324, View in Reaxys 3 of 7

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Partner (Association (MCS))

β-cyclodextrin

Reddy, Dasaratha G.; Jayasree, B.; Ramamurthy. V.; Journal of Organic Chemistry; vol. 52; nb. 14; (1987); p. 3107 - 3113, View in Reaxys 4 of 7

Description (Association (MCS))

NMR spectrum of the complex

Solvent (Association (MCS))

D2O

Partner (Association (MCS))

β-cyclodextrin

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Singh, Sharat; Usha, Govindarajan; Tung, Chen-Ho; Turro, Nicholas J.; Ramamurthy, Vaidhyanathan; Journal of Organic Chemistry; vol. 51; nb. 6; (1986); p. 941 - 944, View in Reaxys 5 of 7

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Partner (Association (MCS))

β-cyclodextrin

Singh, Sharat; Usha, Govindarajan; Tung, Chen-Ho; Turro, Nicholas J.; Ramamurthy, Vaidhyanathan; Journal of Organic Chemistry; vol. 51; nb. 6; (1986); p. 941 - 944, View in Reaxys 6 of 7

Description (Association (MCS))

NMR spectrum of the complex

Solvent (Association (MCS))

solid

Partner (Association (MCS))

4-p-hydroxyphenyl-2,2,4-trimethylchroman

Goswami, P. C.; Mayo, Paul de; Ramnath, N.; Bernard, G.; Omkaram, N.; et al.; Canadian Journal of Chemistry; vol. 63; (1985); p. 2719 - 2725, View in Reaxys 7 of 7

Description (Association (MCS))

Association with compound

Partner (Association (MCS))

4-p-hydroxyphenyl-2,2,4-trimethylchroman

Goswami, P. C.; Mayo, Paul de; Ramnath, N.; Bernard, G.; Omkaram, N.; et al.; Canadian Journal of Chemistry; vol. 63; (1985); p. 2719 - 2725, View in Reaxys Chromatographic Data (3) Chromatographic Location data

References

GC (Gas chromatography)

supporting informa- Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L.; Journal of the American Chemical tion Society; vol. 136; nb. 10; (2014); p. 3792 - 3795, View in Reaxys; Liu, Chengwei; Achtenhagen, Marcel; Szostak, Michal; Organic Letters; vol. 18; nb. 10; (2016); p. 2375 - 2378, View in Reaxys

TLC (Thin layer chromatography)

supporting informa- Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah; Organic and Biomolecular Chemistry; vol. tion 13; nb. 24; (2015); p. 6749 - 6753, View in Reaxys; Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah; Organic and Biomolecular Chemistry; vol. 13; nb. 48; (2015); p. 11651 - 11656, View in Reaxys

HPLC (High performance liquid chromatography)

Chen, Jun; Jiang, Qiu-Dong; Wu, Ye-Ming; Liu, Pei; Yao, Jun-Hong; Lu, Qing; Zhang, Hui; Duan, Jin-Ao; Molecules; vol. 20; nb. 10; (2015); p. 18219 - 18236, View in Reaxys

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

References

Adiabatic compres- aus der SchallLagemann et al.; Journal of the American Chemical Society; vol. 73; (1951); p. 3213, sibility geschwindigkeit er- View in Reaxys mittelt bei 30gradC:. Crystal Property Description (8) Colour & Other Location Properties yellow

colourless

References

supporting informa- Wang, Xingyong; Wang, Xiaodong; Liu, Miaochang; Ding, Jinchang; Chen, Jiuxi; Wu, tion Huayue; Synthesis (Germany); vol. 45; nb. 16; (2013); p. 2241 - 2244; Art.No: SS-2013-F0255OP, View in Reaxys; Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah; Organic and Biomolecular Chemistry; vol. 13; nb. 24; (2015); p. 6749 - 6753, View in Reaxys; Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah; Organic and Biomolecular Chemistry; vol. 13; nb. 48; (2015); p. 11651 - 11656, View in Reaxys; Liu, Chengwei; Achtenhagen, Marcel; Szostak, Michal; Organic Letters; vol. 18; nb. 10; (2016); p. 2375 - 2378, View in Reaxys; Nugent, Jeremy; Schwartz, Brett D.; Organic Letters; vol. 18; nb. 15; (2016); p. 3834 - 3837, View in Reaxys Jones, Raymond C. F.; Nichols, John R.; Organic and Biomolecular Chemistry; vol. 11; nb. 35; (2013); p. 5926 - 5935, View in Reaxys; Marui, Kuniaki; Higashiura, Yuuki; Kodama, Shin-

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taro; Hashidate, Suguru; Nomoto, Akihiro; Yano, Shigenobu; Ueshima, Michio; Ogawa, Akiya; Tetrahedron; vol. 70; nb. 14; (2014); p. 2431 - 2438, View in Reaxys; Wang, Guang-Zu; Li, Xing-Long; Dai, Jian-Jun; Xu, Hua-Jian; Journal of Organic Chemistry; vol. 79; nb. 15; (2014); p. 7220 - 7225, View in Reaxys; Huang, Pei-Qiang; Wang, Yu; Xiao, Kai-Jiong; Huang, Ying-Hong; Tetrahedron; vol. 71; nb. 24; (2015); p. 4248 - 4254; Art.No: 26677, View in Reaxys white

supporting informa- Murata, Ryo; Hirano, Keiichi; Uchiyama, Masanobu; Chemistry - An Asian Journal; vol. 10; tion nb. 6; (2015); p. 1286 - 1290, View in Reaxys

colourless

supporting informa- Wu, Jie; Yang, Xiaoqing; He, Zhi; Mao, Xianwen; Hatton, T. Alan; Jamison, Timothy F.; Antion gewandte Chemie - International Edition; vol. 53; nb. 32; (2014); p. 8416 - 8420; Angew. Chem.; vol. 126; nb. 32; (2014); p. 8556 - 8560,5, View in Reaxys

yellow

colourless

Wang, Xingyong; Liu, Miaochang; Xu, Long; Wang, Qingzong; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue; Journal of Organic Chemistry; vol. 78; nb. 11; (2013); p. 5273 - 5281, View in Reaxys supporting informa- Pena-Lopez, Miguel; Ayan-Varela, Miguel; Sarandeses, Luis A.; Perez Sestelo, Jose; Chemistion try - A European Journal; vol. 16; nb. 32; (2010); p. 9905 - 9909, View in Reaxys; Lin, Riyuan; Chen, Feng; Jiao, Ning; Organic Letters; vol. 14; nb. 16; (2012); p. 4158 - 4161, View in Reaxys

yellow

Zhong, Weihui; Wu, Yaotiao; Zhang, Xingxian; Journal of Chemical Research; nb. 6; (2009); p. 370 - 373, View in Reaxys

light-yellow

Mutoh, Yuichiro; Murai, Toshiaki; Organic Letters; vol. 5; nb. 8; (2003); p. 1361 - 1364, View in Reaxys

Electrochemical Characteristics (3) 1 of 3

Description (Electrochemical Characteristics)

polarographic half-wave potential

Wagner, Peter J.; Siebert, Elizabeth J.; Journal of the American Chemical Society; vol. 103; nb. 24; (1981); p. 7329 - 7335, View in Reaxys 2 of 3

Description (Electrochemical Characteristics)

redox potential

Comment (Electrochemical Characteristics)

Reduktionspotential(wss.-aethanol.Loesung vom pH 12.5).

Portillo; Varela; An.Bromatol.; vol. 2; (1950); p. 147,179, View in Reaxys 3 of 3

Description (Electrochemical Characteristics)

polarographic current/voltage curve

Davies; Evans; Journal of the Chemical Society; (1939); p. 546,547, View in Reaxys Enthalpy of Formation (1) References Tajima et al.; Bulletin of the Chemical Society of Japan; vol. 46; (1973); p. 3687, View in Reaxys Further Information (8) Description (FurReferences ther Information) Further information Levsen; Beckey; International Journal of Mass Spectrometry and Ion Physics; vol. 15; (1974); p. 333,337, View in Reaxys Further information Levsen; Beckey; International Journal of Mass Spectrometry and Ion Physics; vol. 7; (1971); p. 341, View in Reaxys Further information Beynon et al.; Organic Mass Spectrometry; vol. 5; (1971); p. 967,972, View in Reaxys Further information Wagner; Organic Mass Spectrometry; vol. 3; (1970); p. 1307,1312, View in Reaxys Further information Williams; Cooks; Chemical Communications (London); (1968); p. 663, View in Reaxys Further information Wagner; Journal of the American Chemical Society; vol. 89; (1967); p. 5898,5901, View in Reaxys Further information Wan et al.; Journal of the American Chemical Society; vol. 87; (1965); p. 4409,4414, 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 Ionization Potential (1) References Levsen; Beckey; International Journal of Mass Spectrometry and Ion Physics; vol. 7; (1971); p. 341, View in Reaxys

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Liquid/Liquid Systems (MCS) (2) 1 of 2

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

aq. phosphate buffer

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Partner (Liquid/Liquid Systems (MCS))

sodium dodecyl-sulfate; H2O

Khaledi; Kelly; Burns; Analytical Chemistry; vol. 73; nb. 24; (2001); p. 6057 - 6062, View in Reaxys 2 of 2

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

acetonitrile; various solvent(s)

Comment (Liquid/Liquid Systems (MCS))

equation

Partner (Liquid/Liquid Systems (MCS))

immobilized artificial membrane (IAC)

Valko, Klara; Du, Chau My; Bevan, Christopher D.; Reynolds, Derek P.; Abraham, Michael H.; Journal of Pharmaceutical Sciences; vol. 89; nb. 8; (2000); p. 1085 - 1096, View in Reaxys Liquid/Vapour Systems (MCS) (1) 1 of 1

Description (Liquid/ Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Partner (Liquid/Vapour Systems (MCS))

water

Grunbauer; Bultsma; Rekker; European Journal of Medicinal Chemistry; vol. 17; nb. 5; (1982); p. 421 - 428, View in Reaxys Mechanical & Physical Properties (MCS) (1) 1 of 1

Description (Mechanical & Physical Properties (MCS))

Volume change on mixing

Dusart et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 73; (1976); p. 832,833, View in Reaxys Partition octan-1-ol/water (MCS) (2) 1 of 2

log POW

3.04

Temperature (Partition octan-1-ol/water (MCS)) [°C]

Kibbey, Christopher E.; Poole, Salwa K.; Robinson, Ben; Jackson, J. Derek; Durham, Douglas; Journal of Pharmaceutical Sciences; vol. 90; nb. 8; (2001); p. 1164 - 1175, View in Reaxys 2 of 2

log POW

3.28

Solubility [g·l-1]

0.131406

Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Zepp; Gumz; Miller; Gao; Journal of Physical Chemistry A; vol. 102; nb. 28; (1998); p. 5716 - 5723, View in Reaxys 2 of 3

Saturation

in solution

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Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

various solvent(s)

Comment (Solubility (MCS))

Solubilty: 2.6 mol-percent

Workentin; Leigh; Jeffrey; Journal of the American Chemical Society; vol. 112; nb. 20; (1990); p. 7329 - 7336, View in Reaxys 3 of 3

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

various solvent(s)

Comment (Solubility (MCS))

Solubilty: 1.0 mol-percent

Workentin; Leigh; Jeffrey; Journal of the American Chemical Society; vol. 112; nb. 20; (1990); p. 7329 - 7336, View in Reaxys Solution Behaviour (MCS) (3) 1 of 3

Description (Solution Behaviour (MCS))

Solubilizing

Temperature (Solution Be- 25 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

lithium perfluoro-1-octanesufonate

Yang; Khaledi; Analytical chemistry; vol. 67; nb. 3; (1995); p. 499 - 510, View in Reaxys 2 of 3

Description (Solution Behaviour (MCS))

Solubilizing

Temperature (Solution Be- 25 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

sodium cholate

Yang; Khaledi; Analytical chemistry; vol. 67; nb. 3; (1995); p. 499 - 510, View in Reaxys 3 of 3

Description (Solution Behaviour (MCS))

Solubilizing

Temperature (Solution Be- 25 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

sodium dodecyl-sulfate

Yang; Khaledi; Analytical chemistry; vol. 67; nb. 3; (1995); p. 499 - 510, View in Reaxys Transport Phenomena (MCS) (2) 1 of 2

Description (Transport Phenomena (MCS))

Viscosity

Dusart et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 75; (1978); p. 919,920, 921, 924, 926, View in Reaxys 2 of 2

Description (Transport Phenomena (MCS))

Diffusion

Grushka; Kikta; Journal of the American Chemical Society; vol. 98; (1976); p. 643,645, View in Reaxys NMR Spectroscopy (59) 1 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

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Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Zhong, Weihui; Wu, Yaotiao; Zhang, Xingxian; Journal of Chemical Research; nb. 6; (2009); p. 370 - 373, View in Reaxys; Yu; Wang; Wu; Russian Journal of General Chemistry; vol. 86; nb. 1; (2016); p. 178 - 183; Zh. Obshch. Khim., View in Reaxys 2 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 500 scopy) [MHz] Location

supporting information

Seth, Saona; Jhulki, Samik; Moorthy, Jarugu Narasimha; European Journal of Organic Chemistry; nb. 12; (2013); p. 2445 2452, View in Reaxys; Wang, Xingyong; Liu, Miaochang; Xu, Long; Wang, Qingzong; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue; Journal of Organic Chemistry; vol. 78; nb. 11; (2013); p. 5273 - 5281, View in Reaxys; Wang, Xingyong; Wang, Xiaodong; Liu, Miaochang; Ding, Jinchang; Chen, Jiuxi; Wu, Huayue; Synthesis (Germany); vol. 45; nb. 16; (2013); p. 2241 - 2244; Art.No: SS-2013-F0255-OP, View in Reaxys; Wu, Jie; Yang, Xiaoqing; He, Zhi; Mao, Xianwen; Hatton, T. Alan; Jamison, Timothy F.; Angewandte Chemie - International Edition; vol. 53; nb. 32; (2014); p. 8416 - 8420; Angew. Chem.; vol. 126; nb. 32; (2014); p. 8556 - 8560,5, View in Reaxys; Liu, Chengwei; Achtenhagen, Marcel; Szostak, Michal; Organic Letters; vol. 18; nb. 10; (2016); p. 2375 - 2378, View in Reaxys 3 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Sheng, Wen-Bing; Jiang, Qing; Luo, Wei-Ping; Guo, Can-Cheng; Journal of Organic Chemistry; vol. 78; nb. 11; (2013); p. 5691 - 5693, View in Reaxys; Marui, Kuniaki; Higashiura, Yuuki; Kodama, Shintaro; Hashidate, Suguru; Nomoto, Akihiro; Yano, Shigenobu; Ueshima, Michio; Ogawa, Akiya; Tetrahedron; vol. 70; nb. 14; (2014); p. 2431 - 2438, View in Reaxys; Zhou, Xiaomeng; Li, Xiaokang; Zhang, Wei; Chen, Junmin; Tetrahedron Letters; vol. 55; nb. 37; (2014); p. 5137 - 5140, View in Reaxys; Iosub, Andrei V.; Stahl, Shannon S.; Journal of the American Chemical Society; vol. 137; nb. 10; (2015); p. 3454 - 3457, View in Reaxys; Nugent, Jeremy; Schwartz, Brett D.; Organic Letters; vol. 18; nb. 15; (2016); p. 3834 - 3837, View in Reaxys 4 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 125 scopy) [MHz] Location

supporting information

Wang, Xingyong; Liu, Miaochang; Xu, Long; Wang, Qingzong; Chen, Jiuxi; Ding, Jinchang; Wu, Huayue; Journal of Organic Chemistry; vol. 78; nb. 11; (2013); p. 5273 - 5281, View in Reaxys; Wang, Xingyong; Wang, Xiaodong; Liu, Miaochang; Ding, Jinchang; Chen, Jiuxi; Wu, Huayue; Synthesis (Germany); vol. 45; nb. 16; (2013); p. 2241 - 2244; Art.No: SS-2013-F0255-OP, View in Reaxys; Wu, Jie; Yang, Xiaoqing; He, Zhi; Mao, Xianwen; Hatton, T. Alan; Jamison, Timothy F.; Angewandte Chemie - International Edition; vol. 53; nb. 32; (2014); p. 8416 - 8420; Angew. Chem.; vol. 126; nb. 32; (2014); p. 8556 - 8560,5, View in Reaxys; Liu, Chengwei; Achtenhagen, Marcel; Szostak, Michal; Organic Letters; vol. 18; nb. 10; (2016); p. 2375 - 2378, View in Reaxys

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5 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Location

supporting information

Sheng, Wen-Bing; Jiang, Qing; Luo, Wei-Ping; Guo, Can-Cheng; Journal of Organic Chemistry; vol. 78; nb. 11; (2013); p. 5691 - 5693, View in Reaxys; Marui, Kuniaki; Higashiura, Yuuki; Kodama, Shintaro; Hashidate, Suguru; Nomoto, Akihiro; Yano, Shigenobu; Ueshima, Michio; Ogawa, Akiya; Tetrahedron; vol. 70; nb. 14; (2014); p. 2431 - 2438, View in Reaxys; Zhou, Xiaomeng; Li, Xiaokang; Zhang, Wei; Chen, Junmin; Tetrahedron Letters; vol. 55; nb. 37; (2014); p. 5137 - 5140, View in Reaxys; Baillie, Rhett A.; Lefvre, Guillaume P.; Wakeham, Russell J.; Holmes, Aaron S.; Legzdins, Peter; Organometallics; vol. 34; nb. 16; (2015); p. 4085 - 4092, View in Reaxys 6 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Wang, Dawei; Zhao, Keyan; Ma, Piming; Xu, Chongying; Ding, Yuqiang; Tetrahedron Letters; vol. 55; nb. 52; (2014); p. 7233 - 7235, View in Reaxys; Gu, Li-Jun; Jin, Cheng; Zhang, Hong-Tao; Chemistry - A European Journal; vol. 21; nb. 24; (2015); p. 8741 - 8744, View in Reaxys; Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah; Organic and Biomolecular Chemistry; vol. 13; nb. 24; (2015); p. 6749 - 6753, View in Reaxys; Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah; Organic and Biomolecular Chemistry; vol. 13; nb. 48; (2015); p. 11651 - 11656, View in Reaxys 7 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 101 scopy) [MHz] Location

supporting information

Iosub, Andrei V.; Stahl, Shannon S.; Journal of the American Chemical Society; vol. 137; nb. 10; (2015); p. 3454 - 3457, View in Reaxys 8 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Huang, Pei-Qiang; Wang, Yu; Xiao, Kai-Jiong; Huang, Ying-Hong; Tetrahedron; vol. 71; nb. 24; (2015); p. 4248 - 4254; Art.No: 26677, View in Reaxys 9 of 59

Description (NMR Spectroscopy)

Chemical shifts

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Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Huang, Pei-Qiang; Wang, Yu; Xiao, Kai-Jiong; Huang, Ying-Hong; Tetrahedron; vol. 71; nb. 24; (2015); p. 4248 - 4254; Art.No: 26677, View in Reaxys 10 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Location

supporting information

Gu, Li-Jun; Jin, Cheng; Zhang, Hong-Tao; Chemistry - A European Journal; vol. 21; nb. 24; (2015); p. 8741 - 8744, View in Reaxys 11 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 495.1 scopy) [MHz] Location

supporting information

Murata, Ryo; Hirano, Keiichi; Uchiyama, Masanobu; Chemistry - An Asian Journal; vol. 10; nb. 6; (2015); p. 1286 - 1290, View in Reaxys 12 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 124.5 scopy) [MHz] Location

supporting information

Murata, Ryo; Hirano, Keiichi; Uchiyama, Masanobu; Chemistry - An Asian Journal; vol. 10; nb. 6; (2015); p. 1286 - 1290, View in Reaxys 13 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

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Baillie, Rhett A.; Lefvre, Guillaume P.; Wakeham, Russell J.; Holmes, Aaron S.; Legzdins, Peter; Organometallics; vol. 34; nb. 16; (2015); p. 4085 - 4092, View in Reaxys 14 of 59

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Location

supporting information

Guo, Hui; Liu, Delong; Butt, Nicholas A.; Liu, Yangang; Zhang, Wanbin; Tetrahedron; vol. 68; nb. 16; (2012); p. 3295 3299, View in Reaxys; Xia, Ji-Bao; Zhu, Chen; Chen, Chuo; Chemical Communications; vol. 50; nb. 79; (2014); p. 11701 11704, View in Reaxys 15 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Sawama, Yoshinari; Morita, Kosuke; Yamada, Tsuyoshi; Nagata, Saori; Yabe, Yuki; Monguchi, Yasunari; Sajiki, Hironao; Green Chemistry; vol. 16; nb. 7; (2014); p. 3439 - 3443, View in Reaxys 16 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 600 scopy) [MHz] Location

supporting information

Wang, Guang-Zu; Li, Xing-Long; Dai, Jian-Jun; Xu, Hua-Jian; Journal of Organic Chemistry; vol. 79; nb. 15; (2014); p. 7220 - 7225, View in Reaxys 17 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 151 scopy) [MHz] Location

supporting information

Wang, Guang-Zu; Li, Xing-Long; Dai, Jian-Jun; Xu, Hua-Jian; Journal of Organic Chemistry; vol. 79; nb. 15; (2014); p. 7220 - 7225, View in Reaxys 18 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

21/38

2018-05-06 21:58:58

Eisch, John J.; Sohn, Jane U.; Rabinowitz, Edon J.; European Journal of Organic Chemistry; nb. 15; (2010); p. 2971 - 2977, View in Reaxys; Jones, Raymond C. F.; Nichols, John R.; Organic and Biomolecular Chemistry; vol. 11; nb. 35; (2013); p. 5926 - 5935, View in Reaxys 19 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Mori, Shigeki; Takubo, Masato; Makida, Kazuya; Yanase, Takayoshi; Aoyagi, Satoka; Maegawa, Tomohiro; Monguchi, Yasunari; Sajiki, Hironao; Chemical Communications; nb. 34; (2009); p. 5159 - 5161, View in Reaxys; Genna, Douglas T.; Posner, Gary H.; Organic Letters; vol. 13; nb. 19; (2011); p. 5358 - 5361, View in Reaxys; Kalutharage, Nishantha; Yi, Chae S.; Angewandte Chemie - International Edition; vol. 52; nb. 51; (2013); p. 13651 - 13655; Angew. Chem.; vol. 125; nb. 51; (2013); p. 13896 - 13900, View in Reaxys 21 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Location

supporting information

Genna, Douglas T.; Posner, Gary H.; Organic Letters; vol. 13; nb. 19; (2011); p. 5358 - 5361, View in Reaxys; Kalutharage, Nishantha; Yi, Chae S.; Angewandte Chemie - International Edition; vol. 52; nb. 51; (2013); p. 13651 - 13655; Angew. Chem.; vol. 125; nb. 51; (2013); p. 13896 - 13900, View in Reaxys 22 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Location

supporting information

Oda, Yoshiro; Hirano, Koji; Satoh, Tetsuya; Kuwabata, Susumu; Miura, Masahiro; Tetrahedron Letters; vol. 52; nb. 41; (2011); p. 5392 - 5394, View in Reaxys; Lin, Riyuan; Chen, Feng; Jiao, Ning; Organic Letters; vol. 14; nb. 16; (2012); p. 4158 - 4161, View in Reaxys 23 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

22/38

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Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Location

supporting information

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 300 scopy) [MHz] Location

supporting information

Pena-Lopez, Miguel; Ayan-Varela, Miguel; Sarandeses, Luis A.; Perez Sestelo, Jose; Chemistry - A European Journal; vol. 16; nb. 32; (2010); p. 9905 - 9909, View in Reaxys 25 of 59

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 75 scopy) [MHz] Location

supporting information

Pena-Lopez, Miguel; Ayan-Varela, Miguel; Sarandeses, Luis A.; Perez Sestelo, Jose; Chemistry - A European Journal; vol. 16; nb. 32; (2010); p. 9905 - 9909, View in Reaxys 26 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 100 scopy) [MHz] Murphy, John A.; Commeureuc, Aurelien G. J.; Snaddon, Thomas N.; McGuire, Thomas M.; Khan, Tanweer A.; Hisler, Kevin; Dewis, Mark L.; Carling, Robert; Organic Letters; vol. 7; nb. 7; (2005); p. 1427 - 1429, View in Reaxys; Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 - 5076, View in Reaxys 27 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz]

23/38

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Murphy, John A.; Commeureuc, Aurelien G. J.; Snaddon, Thomas N.; McGuire, Thomas M.; Khan, Tanweer A.; Hisler, Kevin; Dewis, Mark L.; Carling, Robert; Organic Letters; vol. 7; nb. 7; (2005); p. 1427 - 1429, View in Reaxys; Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 - 5076, View in Reaxys 28 of 59

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz] Murphy, John A.; Commeureuc, Aurelien G. J.; Snaddon, Thomas N.; McGuire, Thomas M.; Khan, Tanweer A.; Hisler, Kevin; Dewis, Mark L.; Carling, Robert; Organic Letters; vol. 7; nb. 7; (2005); p. 1427 - 1429, View in Reaxys; Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 - 5076, View in Reaxys 29 of 59

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz] Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 - 5076, View in Reaxys 30 of 59

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 100 scopy) [MHz] Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 - 5076, View in Reaxys 31 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 200 scopy) [MHz] Jozwiak, Andrzej; Brzezinski, Jacek Z.; Plotka, Mieczyslaw W.; Szczesniak, Aleksandra K.; Malinowski, Zbigniew; Epsztajn, Jan; European Journal of Organic Chemistry; nb. 15; (2004); p. 3254 - 3261, View in Reaxys; Deshmukh; Jadhav, Sunil; Anbhule; Mali; Suryawanshi; Journal of Chemical Research; nb. 4; (2006); p. 248 - 250, View in Reaxys 32 of 59

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 200 scopy) [MHz]

24/38

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Jozwiak, Andrzej; Brzezinski, Jacek Z.; Plotka, Mieczyslaw W.; Szczesniak, Aleksandra K.; Malinowski, Zbigniew; Epsztajn, Jan; European Journal of Organic Chemistry; nb. 15; (2004); p. 3254 - 3261, View in Reaxys; Deshmukh; Jadhav, Sunil; Anbhule; Mali; Suryawanshi; Journal of Chemical Research; nb. 4; (2006); p. 248 - 250, View in Reaxys 33 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 125 scopy) [MHz] Yamane, Motoki; Kubota, Yuko; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 78; nb. 2; (2005); p. 331 340, View in Reaxys 34 of 59

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 500 scopy) [MHz] Yamane, Motoki; Kubota, Yuko; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 78; nb. 2; (2005); p. 331 340, View in Reaxys 35 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 500 scopy) [MHz] Yamane, Motoki; Kubota, Yuko; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 78; nb. 2; (2005); p. 331 340, View in Reaxys 36 of 59

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

D2O

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 300 scopy) [MHz] Annalakshmi, Subramanian; Pitchumani, Kasi; Bulletin of the Chemical Society of Japan; vol. 78; nb. 11; (2005); p. 2000 2006, View in Reaxys 37 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 50 scopy) [MHz]

25/38

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Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 100.4 scopy) [MHz] Mutoh, Yuichiro; Murai, Toshiaki; Organic Letters; vol. 5; nb. 8; (2003); p. 1361 - 1364, View in Reaxys 39 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 399.7 scopy) [MHz] Mutoh, Yuichiro; Murai, Toshiaki; Organic Letters; vol. 5; nb. 8; (2003); p. 1361 - 1364, View in Reaxys 40 of 59

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 399.7 scopy) [MHz] Mutoh, Yuichiro; Murai, Toshiaki; Organic Letters; vol. 5; nb. 8; (2003); p. 1361 - 1364, View in Reaxys 41 of 59

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 300 scopy) [MHz] Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys 42 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 300 scopy) [MHz] Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys 43 of 59

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

CDCl3

26/38

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Frequency (NMR Spectro- 300 scopy) [MHz] Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys 44 of 59

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 75.4 scopy) [MHz] Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys 45 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 75.4 scopy) [MHz] Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys 46 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Parham; Bradsher; Edgar; Journal of Organic Chemistry; vol. 46; nb. 6; (1981); p. 1057 - 1061, View in Reaxys; Beak, Peter; Brown, Roger A.; Journal of Organic Chemistry; vol. 47; nb. 1; (1982); p. 34 - 46, View in Reaxys; Satoh, Tsuyoshi; Itoh, Norifumi; Gengyo, Kaoru; Takada, Sae; Asakawa, Naoyuki; et al.; Tetrahedron; vol. 50; nb. 41; (1994); p. 11839 - 11852, View in Reaxys; Yamamoto, Hiroshi M.; Sakurai, Hidehiro; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 69; nb. 1; (1996); p. 157 - 161, View in Reaxys; Beak, Peter; Pfeifer, Lance A.; Journal of Physical Organic Chemistry; vol. 10; nb. 7; (1997); p. 537 - 541, View in Reaxys; Bures, Edward; Nieman, James A.; Yu, Shuyuan; Spinazze, Patrick G.; Bontront, Jean-Louis J.; Hunt, Ian R.; Rauk, Arvi; Keay, Brian A.; Journal of Organic Chemistry; vol. 62; nb. 25; (1997); p. 8750 - 8759, View in Reaxys 47 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

benzene-d6

Diederichsen, Ulf; Curran, Dennis P.; Journal of Organometallic Chemistry; vol. 531; nb. 1-2; (1997); p. 9 - 12, View in Reaxys 48 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CD2Cl2

Beak, Peter; Pfeifer, Lance A.; Journal of Physical Organic Chemistry; vol. 10; nb. 7; (1997); p. 537 - 541, View in Reaxys 49 of 59

Description (NMR Spectroscopy)

Chemical shifts

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2018-05-06 21:58:58

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

CDCl3

Comment (NMR Spectroscopy)

1H-1H, 2D-1H.

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Yamamoto, Hiroshi M.; Sakurai, Hidehiro; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 69; nb. 1; (1996); p. 157 - 161, View in Reaxys 52 of 59

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

CDCl3

Comment (NMR Spectroscopy)

1H-1H

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

acetone-d6

Comment (NMR Spectroscopy)

13C-13C.

Krivdin, L. B.; Shcherbakov, V. V.; Korostova, S. E.; Shevchenko, S. G.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 36; nb. 4; (1987); p. 694 - 697; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 4; (1987); p. 766 - 769, View in Reaxys 54 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CCl4

Hsiu, Su-Lan; Takai, Hitoshi; Sasaki, Yoshio; Chemical & Pharmaceutical Bulletin; vol. 32; nb. 6; (1984); p. 2091 - 2099, View in Reaxys 55 of 59

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CCl4

28/38

2018-05-06 21:58:58

Kim, Sunggak; Lee, Jae In; Journal of Organic Chemistry; vol. 48; nb. 15; (1983); p. 2608 - 2610, View in Reaxys; Richey, Herman G.; Erickson, Wayne F.; Journal of Organic Chemistry; vol. 48; nb. 23; (1983); p. 4349 - 4357, View in Reaxys 56 of 59

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

CCl4

Comment (NMR Spectroscopy)

1H-1H

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

benzene-d6

Kaptein, Robert; Kanter, Frans J. J. de; Rist, Guenther H.; Journal of the Chemical Society, Chemical Communications; nb. 10; (1981); p. 499 - 501, View in Reaxys 58 of 59

Description (NMR Spectroscopy)

CIDNP

Kaptein, Robert; Kanter, Frans J. J. de; Rist, Guenther H.; Journal of the Chemical Society, Chemical Communications; nb. 10; (1981); p. 499 - 501, View in Reaxys 59 of 59

Description (NMR Spectroscopy)

NMR

Deuchert,K. et al.; Chemische Berichte; vol. 112; (1979); p. 2045 - 2061, View in Reaxys; Meyers,A.I. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 1372 - 1379, View in Reaxys; Parham; Jones; Journal of Organic Chemistry; vol. 41; nb. 7; (1976); p. 1187,1189, View in Reaxys; Bergbreiter; Killough; Journal of Organic Chemistry; vol. 41; (1976); p. 2750, View in Reaxys; Panasenko et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 26; (1977); p. 425; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 26; (1977); p. 470, View in Reaxys; Maurer; Bargon; Journal of the American Chemical Society; vol. 101; (1979); p. 6865,6867, View in Reaxys; Bagnell et al.; Australian Journal of Chemistry; vol. 28; (1975); p. 821, View in Reaxys IR Spectroscopy (18) 1 of 18

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

film

Jones, Raymond C. F.; Nichols, John R.; Organic and Biomolecular Chemistry; vol. 11; nb. 35; (2013); p. 5926 - 5935, View in Reaxys; Huang, Pei-Qiang; Wang, Yu; Xiao, Kai-Jiong; Huang, Ying-Hong; Tetrahedron; vol. 71; nb. 24; (2015); p. 4248 - 4254; Art.No: 26677, View in Reaxys 2 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Location

supporting information

Gu, Li-Jun; Jin, Cheng; Zhang, Hong-Tao; Chemistry - A European Journal; vol. 21; nb. 24; (2015); p. 8741 - 8744, View in Reaxys 3 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat liquid

Location

supporting information

Wu, Jie; Yang, Xiaoqing; He, Zhi; Mao, Xianwen; Hatton, T. Alan; Jamison, Timothy F.; Angewandte Chemie - International Edition; vol. 53; nb. 32; (2014); p. 8416 - 8420; Angew. Chem.; vol. 126; nb. 32; (2014); p. 8556 - 8560,5, View in Reaxys 4 of 18

Description (IR Spectroscopy)

ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy); Bands

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Location

supporting information

Pena-Lopez, Miguel; Ayan-Varela, Miguel; Sarandeses, Luis A.; Perez Sestelo, Jose; Chemistry - A European Journal; vol. 16; nb. 32; (2010); p. 9905 - 9909, View in Reaxys 5 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys; Deshmukh; Jadhav, Sunil; Anbhule; Mali; Suryawanshi; Journal of Chemical Research; nb. 4; (2006); p. 248 - 250, View in Reaxys 6 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

film

Jozwiak, Andrzej; Brzezinski, Jacek Z.; Plotka, Mieczyslaw W.; Szczesniak, Aleksandra K.; Malinowski, Zbigniew; Epsztajn, Jan; European Journal of Organic Chemistry; nb. 15; (2004); p. 3254 - 3261, View in Reaxys; Crawford, James J.; Henderson, Kenneth W.; Kerr, William J.; Organic Letters; vol. 8; nb. 22; (2006); p. 5073 - 5076, View in Reaxys 7 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat liquid

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

various solvent(s)

Yamane, Motoki; Kubota, Yuko; Narasaka, Koichi; Bulletin of the Chemical Society of Japan; vol. 78; nb. 2; (2005); p. 331 340, View in Reaxys 9 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1685 cm**(-1)

Kim, Sunggak; Lee, Jae In; Journal of Organic Chemistry; vol. 48; nb. 15; (1983); p. 2608 - 2610, View in Reaxys; Bures, Edward; Nieman, James A.; Yu, Shuyuan; Spinazze, Patrick G.; Bontront, Jean-Louis J.; Hunt, Ian R.; Rauk, Arvi; Keay, Brian A.; Journal of Organic Chemistry; vol. 62; nb. 25; (1997); p. 8750 - 8759, View in Reaxys 10 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1690 cm**(-1)

Satoh, Tsuyoshi; Itoh, Norifumi; Gengyo, Kaoru; Takada, Sae; Asakawa, Naoyuki; et al.; Tetrahedron; vol. 50; nb. 41; (1994); p. 11839 - 11852, View in Reaxys 11 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

1685 cm**(-1)

Richey, Herman G.; Erickson, Wayne F.; Journal of Organic Chemistry; vol. 48; nb. 23; (1983); p. 4349 - 4357, View in Reaxys 12 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1720 cm**(-1)

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Marks, Maurice J.; Walborsky, Harry M.; Journal of Organic Chemistry; vol. 47; nb. 1; (1982); p. 52 - 56, View in Reaxys 13 of 18

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

2920 - 690 cm**(-1)

Beak, Peter; Brown, Roger A.; Journal of Organic Chemistry; vol. 47; nb. 1; (1982); p. 34 - 46, View in Reaxys 14 of 18

Description (IR Spectroscopy)

Compagnon,P.-L. et al.; Bulletin de la Societe Chimique de France; (1975); p. 779 - 782, View in Reaxys; Meyers,A.I. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 1372 - 1379, View in Reaxys; Petersen; Analytical Chemistry; vol. 47; (1975); p. 112,116, View in Reaxys; Bergbreiter; Killough; Journal of Organic Chemistry; vol. 41; (1976); p. 2750, View in Reaxys; Cahiez et al.; Synthesis; (1977); p. 130, View in Reaxys; Panasenko et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); vol. 26; (1977); p. 425; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; vol. 26; (1977); p. 470, View in Reaxys 15 of 18

Description (IR Spectroscopy)

Intensity of IR bands

Dusart et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 73; (1976); p. 832,833, View in Reaxys 16 of 18

Description (IR Spectroscopy)

Bands

Ulbricht; Journal of the Chemical Society; (1965); p. 6649, View in Reaxys; Morcillo et al.; Anales de la Real Sociedad Espanola de Fisica y Quimica, Serie B: Quimica; vol. 60; (1964); p. 199,203, View in Reaxys 17 of 18

Description (IR Spectroscopy)

Spectrum

Berlin et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 226,227, 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 et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 32; (1962); p. 1758,1743; Chem.Abstr.; nb. 23382; (1961), View in Reaxys 18 of 18

Description (IR Spectroscopy)

Intensity of IR bands

Comment (IR Spectroscopy)

CO-Valenzschwingunsbande bei 1680 cm-1.

Thompson et al.; Spectrochimica Acta; vol. 9; (1957); p. 208,210, View in Reaxys Mass Spectrometry (13) Description (Mass Location Spectrometry) electron impact (EI); spectrum electrospray ionisation (ESI); liquid chromatography mass spectrometry (LCMS); spectrum

References

supporting informa- Gu, Li-Jun; Jin, Cheng; Zhang, Hong-Tao; Chemistry - A European Journal; vol. 21; nb. 24; tion (2015); p. 8741 - 8744, View in Reaxys; Liu, Chengwei; Achtenhagen, Marcel; Szostak, Michal; Organic Letters; vol. 18; nb. 10; (2016); p. 2375 - 2378, View in Reaxys Huang, Pei-Qiang; Wang, Yu; Xiao, Kai-Jiong; Huang, Ying-Hong; Tetrahedron; vol. 71; nb. 24; (2015); p. 4248 - 4254; Art.No: 26677, View in Reaxys

high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); time-offlight mass spectra (TOFMS); spectrum

supporting informa- Gu, Li-Jun; Jin, Cheng; Zhang, Hong-Tao; Chemistry - A European Journal; vol. 21; nb. 24; tion (2015); p. 8741 - 8744, View in Reaxys

high resolution mass spectrometry (HRMS); spectrum

spectrum

Satoh, Tsuyoshi; Itoh, Norifumi; Gengyo, Kaoru; Takada, Sae; Asakawa, Naoyuki; et al.; Tetrahedron; vol. 50; nb. 41; (1994); p. 11839 - 11852, View in Reaxys; Murphy, John A.; Com-

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meureuc, Aurelien G. J.; Snaddon, Thomas N.; McGuire, Thomas M.; Khan, Tanweer A.; Hisler, Kevin; Dewis, Mark L.; Carling, Robert; Organic Letters; vol. 7; nb. 7; (2005); p. 1427 1429, View in Reaxys; Jones, Raymond C. F.; Nichols, John R.; Organic and Biomolecular Chemistry; vol. 11; nb. 35; (2013); p. 5926 - 5935, View in Reaxys high resolution mass spectrometry (HRMS); spectrum

Jones, Raymond C. F.; Nichols, John R.; Organic and Biomolecular Chemistry; vol. 11; nb. 35; (2013); p. 5926 - 5935, View in Reaxys

gas chromatograsupporting informa- Kalutharage, Nishantha; Yi, Chae S.; Angewandte Chemie - International Edition; vol. 52; nb. phy mass spectrom- tion 51; (2013); p. 13651 - 13655; Angew. Chem.; vol. 125; nb. 51; (2013); p. 13896 - 13900, etry (GCMS); specView in Reaxys trum EI (Electron impact); Spectrum

supporting informa- Pena-Lopez, Miguel; Ayan-Varela, Miguel; Sarandeses, Luis A.; Perez Sestelo, Jose; Chemistion try - A European Journal; vol. 16; nb. 32; (2010); p. 9905 - 9909, View in Reaxys; Lin, Riyuan; Chen, Feng; Jiao, Ning; Organic Letters; vol. 14; nb. 16; (2012); p. 4158 - 4161, View in Reaxys

HRMS (High reso- supporting informa- Pena-Lopez, Miguel; Ayan-Varela, Miguel; Sarandeses, Luis A.; Perez Sestelo, Jose; Chemislution mass spection try - A European Journal; vol. 16; nb. 32; (2010); p. 9905 - 9909, View in Reaxys trometry); EI (Electron impact); Spectrum electron impact (EI); spectrum

Wang, Donghui; Zhang, Zhaoguo; Organic Letters; vol. 5; nb. 24; (2003); p. 4645 - 4648, View in Reaxys

chemical ionization (CI); spectrum

Chai, Rosalind; Harrison, Alex. G.; Analytical Chemistry; vol. 55; nb. 6; (1983); p. 969 - 971, View in Reaxys Williams; Cooks; Chemical Communications (London); (1968); p. 663, View in Reaxys; Wagner; Organic Mass Spectrometry; vol. 3; (1970); p. 1307,1312, View in Reaxys; Borchers; Leusen; Organic Mass Spectrometry; vol. 10; (1975); p. 584,591, View in Reaxys; Levsen; Beckey; International Journal of Mass Spectrometry and Ion Physics; vol. 7; (1971); p. 341, View in Reaxys; Levsen; Beckey; International Journal of Mass Spectrometry and Ion Physics; vol. 15; (1974); p. 333,337, View in Reaxys; Levsen; Beckey; International Journal of Mass Spectrometry and Ion Physics; vol. 9; (1972); p. 63,65, View in Reaxys; Cooks; Williams; Chemical Communications (London); (1968); p. 627, View in Reaxys; Michnowicz; Munson; Organic Mass Spectrometry; vol. 6; (1972); p. 283,287, View in Reaxys

appearance potentials

Tajima et al.; Bulletin of the Chemical Society of Japan; vol. 46; (1973); p. 3687, View in Reaxys

UV/VIS Spectroscopy (14) 1 of 14

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

hexane

Comment (UV/VIS Spectroscopy)

200 - 320 nm

Zepp; Gumz; Miller; Gao; Journal of Physical Chemistry A; vol. 102; nb. 28; (1998); p. 5716 - 5723, View in Reaxys 2 of 14

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

200 - 320 nm

Zepp; Gumz; Miller; Gao; Journal of Physical Chemistry A; vol. 102; nb. 28; (1998); p. 5716 - 5723, View in Reaxys 3 of 14

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

acetonitrile

Comment (UV/VIS Spectroscopy)

200 - 320 nm

Zepp; Gumz; Miller; Gao; Journal of Physical Chemistry A; vol. 102; nb. 28; (1998); p. 5716 - 5723, View in Reaxys

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4 of 14

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

acetonitrile; H2O

Comment (UV/VIS Spectroscopy)

200 - 320 nm; Ratio of solvents: 1:4

Zepp; Gumz; Miller; Gao; Journal of Physical Chemistry A; vol. 102; nb. 28; (1998); p. 5716 - 5723, View in Reaxys 5 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

benzene

Absorption Maxima (UV/ VIS) [nm]

320

Wagner, Peter J.; Frerking, Harlan W. Jr.; Canadian Journal of Chemistry; vol. 73; (1995); p. 2047 - 2061, View in Reaxys 6 of 14

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

hexane

Comment (UV/VIS Spectroscopy)

200 - 350 nm

Ramamurthy; Corbin; Johnston; Journal of the American Chemical Society; vol. 114; nb. 10; (1992); p. 3870 - 3882, View in Reaxys 7 of 14

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

methanol

Comment (UV/VIS Spectroscopy)

200 - 350 nm

Ramamurthy; Corbin; Johnston; Journal of the American Chemical Society; vol. 114; nb. 10; (1992); p. 3870 - 3882, View in Reaxys 8 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

heptane

Absorption Maxima (UV/ VIS) [nm]

238

Ext./Abs. Coefficient [l·mol-1cm-1]

14000

Wagner, Peter J.; Thomas, Michael J.; Journal of Organic Chemistry; vol. 46; nb. 26; (1981); p. 5431 - 5434, View in Reaxys 9 of 14

Description (UV/VIS Spectroscopy)

UV/VIS

Shorygin et al.; Russian Journal of Physical Chemistry; vol. 42; (1968); p. 555,556; ; p. 1057, View in Reaxys; Seth-Paul; Vermylen-De Winter; Journal of Molecular Structure; vol. 4; (1969); p. 303,304, View in Reaxys; Barltrop; Coyle; Journal of the American Chemical Society; vol. 90; (1968); p. 6584, View in Reaxys; Pitt Jun. et al.; Journal of the American Chemical Society; vol. 90; (1968); p. 5902, View in Reaxys 10 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Granito; Schultz; Journal of Organic Chemistry; vol. 28; (1963); p. 879, View in Reaxys 11 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

methanol

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Absorption Maxima (UV/ VIS) [nm]

240

Kwart; Keen; Journal of the American Chemical Society; vol. 81; (1959); p. 943,945, View in Reaxys 12 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Absorption Maxima (UV/ VIS) [nm]

242

House; Grubbs; Journal of the American Chemical Society; vol. 81; (1959); p. 4733,4736, View in Reaxys 13 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Biquard; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys 14 of 14

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Biquard; Bulletin de la Societe Chimique de France; vol. <5> 8; (1941); p. 55,67, View in Reaxys Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Spectrum

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

Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence lifetime

Lougnot et al.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 72; (1975); p. 125, View in Reaxys; Turro, Nicolas J.; Chow, Ming-Fea; Journal of the American Chemical Society; vol. 102; nb. 15; (1980); p. 5058 5064, View in Reaxys; Hayashi, Hisaharu; Nagakura, Saburo; Bulletin of the Chemical Society of Japan; vol. 53; nb. 6; (1980); p. 1519 - 1522, View in Reaxys; Kaptein, Robert; Kanter, Frans J. J. de; Rist, Guenther H.; Journal of the Chemical Society, Chemical Communications; nb. 10; (1981); p. 499 - 501, View in Reaxys; Zepp; Gumz; Miller; Gao; Journal of Physical Chemistry A; vol. 102; nb. 28; (1998); p. 5716 - 5723, View in Reaxys

Phosphorescence Spectroscopy (3) Description (Phos- Solvent (Phosphorphorescence Spec- escence Spectrotroscopy) scopy)

Comment (Phosphorescence Spectroscopy)

References

Spectrum

2-methyl-butane; methylcyclohexane

370 - 490 nm

Wagner, Peter J.; Siebert, Elizabeth J.; Journal of the American Chemical Society; vol. 103; nb. 24; (1981); p. 7329 - 7335, View in Reaxys

Maxima

methylcyclohexane; 386 nm; Ratio of 2-methyl-butane solvents: 4:1

Phosphorescence

Wagner, Peter J.; Thomas, Michael J.; Journal of Organic Chemistry; vol. 46; nb. 26; (1981); p. 5431 - 5434, View in Reaxys Wagner et al.; Journal of the American Chemical Society; vol. 92; (1970); p. 5269, View in Reaxys; Barltrop; Coyle; Journal of the American Chemical Society; vol. 90; (1968); p. 6584, View in Reaxys

Other Spectroscopic Methods (1) Description (Other References Spectroscopic Methods) Photoelectron spec- Koenig et al.; Journal of the American Chemical Society; vol. 99; (1977); p. 7061, View in Reaxys trum Abiotic Degradation, Photolysis (1) 1 of 1

Type (Abiotic Degradation, Photolysis)

photodegradation

Concentration (Abiotic Degradation, Photolysis)

8.03E-6 g cm-2

Rate Constant

Ca. 2E-4 per second

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Method, Remarks (Abiotic title comp. spiked on paraffin (P) or spruce (Picea abies) needle wax (N) layer; 125-W mediumDegradation, Photolysis) pressure Hg lamp (>280 nm); same initial quantum efficiency of degradation on P and N; ca. 100percent degradation; degradation vs. time; diagram; GC-FID and GC-MS Degradation Product acetophenone; 2-Methyl-1-phenylcyclobutan-1-ol (Abiotic Degradation, Photolysis) Dolinovaa, Jindriska; Klanova, Jana; Klan, Petr; Holoubek, Ivan; Chemosphere; vol. 57; nb. 11; (2004); p. 1399 - 1407, View in Reaxys Medchem (8) 1 of 8

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Target : Tetrahymena pyriformis GL-C, protozoaBioassay : controls: 1) no title comp., no T. pyriformis; 2) inoculated with T. pyriformis without title comp. population growth impairment testing; 40-h TETRATOX assay; population density quantitated spectrophotometrically at 540 nm

Substance RN

1907717View in Reaxys

Substance Name

1453700

Measurement Parameter

pGI50

Quantitative value

0.56

Schultz, T. Wayne; Chemical Research in Toxicology; vol. 12; nb. 12; (1999); p. 1262 - 1267, View in Reaxys 2 of 8

3 of 8

Target Name

carbonyl reductase (NADPH) [dog]

Target Synonyms

carbonyl reductase (nadph)

Target, Subunit, Species

carbonyl reductase (NADPH) [dog]

Target Mutant/Chimera Details

carbonyl reductase (NADPH) [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis-Menten constant for the compound towards dog liver carbonyl reductase was determined in 0.1 M potassium phosphate, pH 6.0 in the presence of 0.1mM NADPH at 25 degree C

Biological Species/NCBI ID

dog

Organs/Tissues

liver

Substance RN

1907717View in Reaxys

Measurement Parameter

Km (Michaelis constant)

Unit

Qualitative value

Quantitative value

0.01

Measurement pX

Concomitants: Compound name

NADPH

Concomitants: Compound role

COM

Target Name

carbonyl reductase (NADPH) [dog]

Target Synonyms

carbonyl reductase (nadph)

Target, Subunit, Species

carbonyl reductase (NADPH) [dog]

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4 of 8

5 of 8

Target Mutant/Chimera Details

carbonyl reductase (NADPH) [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Catalytic constant for the compound towards dog liver carbonyl reductase was determined in 0.1 M potassium phosphate, pH 6.0 in the presence of 0.1mM NADPH at 25 degree C

Biological Species/NCBI ID

dog

Organs/Tissues

liver

Substance RN

1907717View in Reaxys

Measurement Parameter

kcat

Unit

s-1

Qualitative value

Quantitative value

Concomitants: Compound name

NADPH

Concomitants: Compound role

COM

Target Name

carbonyl reductase (NADPH) [dog]

Target Synonyms

carbonyl reductase (nadph)

Target, Subunit, Species

carbonyl reductase (NADPH) [dog]

Target Mutant/Chimera Details

carbonyl reductase (NADPH) [dog]:Wild

Target Species (Bioactivity)

dog

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio between catalytic constant and Michaelis-Menten constant for the compound towards dog liver carbonyl reductase was determined in 0.1 M potassium phosphate, pH 6.0 in the presence of 0.1mM NADPH at 25 degree C

Biological Species/NCBI ID

dog

Organs/Tissues

liver

Substance RN

1907717View in Reaxys

Qualitative Results

Kcat/Km not calculated

Measurement Parameter

qualitative

Measurement Object

kcat/Km

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Toxicity was measured as population growth impairment to Tetrahymena pyriformis

Biological Species/NCBI ID

Tetrahymena pyriformis

Substance RN

1907717View in Reaxys

Measurement Parameter

qualitative

Qualitative value

Not Published

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Schultz, T. Wayne; Chemical Research in Toxicology; vol. 12; nb. 12; (1999); p. 1262 - 1267, View in Reaxys 6 of 8

7 of 8

Target Name

Estradiol 17-beta-dehydrogenase 1 [Rattus norvegicus]

Target Synonyms

17-beta-hsd 1; 17-beta-hydroxysteroid dehydrogenase type 1; edh17b1; estradiol 17-beta-dehydrogenase 1; hsd17b1

Target Uniprot ID

p51657

Target, Subunit, Species

Estradiol 17-beta-dehydrogenase 1 [Rattus norvegicus]

Target Mutant/Chimera Details

Estradiol 17-beta-dehydrogenase 1 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of 17-beta-hydroxysteroid dehydrogenase 1 from rat testicular microsomes using estrone (E1) (5 uM) as substrate upon incubation in phosphate buffer, pH 7.4 at 37 degree C for 90 min at concentration 100 uM

Biological Species/NCBI ID

Rattus norvegicus

Cells/Cell Lines

testis cell

Substance RN

1907717View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Percent inhibition of 17-beta-hydroxysteroid dehydrogenase 1 from rat testicular microsomes

Qualitative value

Quantitative value

30.73

Deviation

1.59

Concomitants: Compound name

Estrone (E1) (5 uM)

Concomitants: Compound role

COM

Target Name

Testosterone 17-beta-dehydrogenase 3 [Rattus norvegicus]

Target Synonyms

17-beta-hsd 3; 17-beta-hydroxysteroid dehydrogenase type 3; edh17b3; hsd17b3; testicular 17-beta-hydroxysteroid dehydrogenase; testosterone 17-beta-dehydrogenase 3

Target Uniprot ID

o54939

Target, Subunit, Species

Testosterone 17-beta-dehydrogenase 3 [Rattus norvegicus]

Target Mutant/Chimera Details

Testosterone 17-beta-dehydrogenase 3 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of 17-beta-hydroxysteroid dehydrogenase 3 from rat testicular microsomes using [1,2,6,7-3H]AD (1.5 uM) as substrate upon incubation in phosphate buffer, pH 7.4 at 37 degree C for 30 min at concentration 100 uM

Biological Species/NCBI ID

Rattus norvegicus

Cells/Cell Lines

testis cell

Substance RN

1907717View in Reaxys

Measurement Parameter

% Inhibition

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8 of 8

Unit

Qualitative value

Quantitative value

23.01

Deviation

2.06

Target Name

Hydroxy-Delta-5-Steroid Dehydrogenase, 3 Beta- Steroid Delta-Isomerase 1 [Rattus norvegicus]

Target Synonyms

hydroxy-delta-5-steroid dehydrogenase, 3 beta- steroid delta-isomerase 1

Target, Subunit, Species

Hydroxy-Delta-5-Steroid Dehydrogenase, 3 Beta- Steroid Delta-Isomerase 1 [Rattus norvegicus]

Target Mutant/Chimera Details

Hydroxy-Delta-5-Steroid Dehydrogenase, 3 Beta- Steroid Delta-Isomerase 1 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of 3-beta-hydroxysteroid dehydrogenase from rat testicular microsomes using [1,2,6,7-3H]DHEA (15 uM) as substrate upon incubation in Tris-HCl buffer, pH 8.4 at 37 degree C for 40 min at concentration 100 uM

Biological Species/NCBI ID

Rattus norvegicus

Cells/Cell Lines

testis cell

Substance RN

1907717View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Percent inhibition

Qualitative value

Quantitative value

Concomitants: Compound name

2; 6; 7-3H]DHEA (15 uM); [1

Concomitants: Compound role

COM; COM; COM; COM

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