2-Phenylcyclohexanone [C12H14O] by Asch

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13 substances in Reaxys

2018-01-23 07h:56m:47s (EST)

3 substances in Reaxys

2018-01-23 07h:57m:52s (EST)

Search as: As drawn 2. Query

(1. Query) AND itemno in (1,2,3)

1/43

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Reaxys ID 1368883 View in Reaxys

1/3 CAS Registry Number: 1444-65-1 Chemical Name: (RS)-2-phenylcyclohexanone; 2-Phenylcyclohexanone Linear Structure Formula: C6H5C6H9O Molecular Formula: C12H14O Molecular Weight: 174.243 Type of Substance: isocyclic InChI Key: DRLVMOAWNVOSPE-UHFFFAOYSA-N Note:

Substance Label (77) Label References 1a

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Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Organic Letters; vol. 16; nb. 18; (2014); p. 4968 - 4968, View in Reaxys; Dong, Peng; Lu, Guo-Ping; Cai, Chun; New Journal of Chemistry; vol. 40; nb. 2; (2016); p. 1605 - 1609, View in Reaxys; Fürst, Maximilian J.L.J.; Savino, Simone; Dudek, Hanna M.; Castellanos, J. Rúben Gómez; De Souza, Cora Gutiérrez; Rovida, Stefano; Fraaije, Marco W.; Mattevi, Andrea; Journal of the American Chemical Society; vol. 139; nb. 2; (2017); p. 627 - 630, View in Reaxys

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Bröhl, Nina Felicitas; Kundu, Dipti Sankar; Raabe, Gerhard; Enders, Dieter; Synthesis (Germany); vol. 49; nb. 6; (2017); p. 1243 - 1254; Art.No: SS-2016-Z0717-OP, View in Reaxys

Nimmagadda, Sri Krishna; Mallojjala, Sharath Chandra; Woztas, Lukasz; Wheeler, Steven E.; Antilla, Jon C.; Angewandte Chemie - International Edition; vol. 56; nb. 9; (2017); p. 2454 - 2458; Angew. Chem.; vol. 129; nb. 9; (2017); p. 2494 - 2498,5, View in Reaxys

Wang, Jun-Li; Li, Hui-Jing; Wang, Hong-Shuang; Wu, Yan-Chao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys

Xie, Yanjun; Chen, Xiangui; Wang, Zhen; Huang, Huawen; Yi, Bing; Deng, Guo-Jun; Green Chemistry; vol. 19; nb. 18; (2017); p. 4294 - 4298, View in Reaxys

rac-15a

Fiorentini, Filippo; Geier, Martina; Binda, Claudia; Winkler, Margit; Faber, Kurt; Hall, Mélanie; Mattevi, Andrea; ACS Chemical Biology; vol. 11; nb. 4; (2016); p. 1039 - 1048, View in Reaxys

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Tabet, Samuel; Rodeville, Nicolas; Boiteau, Jean-Guy; Cardinaud, Isabelle; Organic Process Research and Development; vol. 20; nb. 7; (2016); p. 1383 - 1387, View in Reaxys

Liang, Yu-Feng; Li, Xinyao; Wang, Xiaoyang; Zou, Miancheng; Tang, Conghui; Liang, Yujie; Song, Song; Jiao, Ning; Journal of the American Chemical Society; vol. 138; nb. 37; (2016); p. 12271 - 12277, View in Reaxys

2aa

Zhang, Guoting; Hu, Xia; Chiang, Chien-Wei; Yi, Hong; Pei, Pengkun; Singh, Atul K.; Lei, Aiwen; Journal of the American Chemical Society; vol. 138; nb. 37; (2016); p. 12037 - 12040, View in Reaxys

Emmanuel, Megan A.; Greenberg, Norman R.; Oblinsky, Daniel G.; Hyster, Todd K.; Nature; vol. 540; nb. 7633; (2016); p. 414 - 417, View in Reaxys

He, Liangyou; Horiuchi, C. Akira; Bulletin of the Chemical Society of Japan; vol. 72; nb. 11; (1999); p. 2515 - 2521, View in Reaxys; Zhu, Min; Zhao, Yang; Chinese Chemical Letters; vol. 26; nb. 2; (2015); p. 248 250, View in Reaxys

Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Uemura, Sakae; Bulletin of the Chemical Society of Japan; vol. 75; nb. 10; (2002); p. 2233 - 2237, View in Reaxys; Zhang, Chunhong; Liu, Fangbin; Li, Yufa; Shen, Xiande; Xu, Xiaodong; Sakai, Ryosuke; Satoh, Toshifumi; Kakuchi, Toyoji; Okamoto, Yoshio; Journal of Polymer Science, Part A: Polymer Chemistry; vol. 51; nb. 10; (2013); p. 2271 - 2278, View in Reaxys; Zhang, Chunhong; Wang, Hailun; Yang, Taotao; Ma, Rui; Liu, Lijia; Sakai, Ryosuke; Satoh, Toshifumi; Kakuchi, Toyoji; Okamoto, Yoshio; Journal of Polymer Science, Part A: Polymer Chemistry; vol. 53; nb. 6; (2015); p. 809 - 821, View in Reaxys

Yin, Jingjun; Huffman, Mark A.; Conrad, Karen M.; Armstrong III, Joseph D.; Journal of Organic Chemistry; vol. 71; nb. 2; (2006); p. 840 - 843, View in Reaxys; Bradley, Tyne D.; Dragan, Andrei; Tomkinson, Nicholas C.O.; Tetrahedron; vol. 71; nb. 42; (2015); p. 8155 - 8161, View in Reaxys

Zhou, Wang; Fan, Wenyou; Jiang, Qijian; Liang, Yu-Feng; Jiao, Ning; Organic Letters; vol. 17; nb. 10; (2015); p. 2542 - 2545, View in Reaxys

Wei, Yu; Rao, Bin; Cong, Xuefeng; Zeng, Xiaoming; Journal of the American Chemical Society; vol. 137; nb. 29; (2015); p. 9250 - 9253, View in Reaxys

Shevchenko, Grigory A.; Pupo, Gabriele; List, Benjamin; Synlett; vol. 26; nb. 10; (2015); p. 1413 - 1416; Art.No: ST-2015-D0168-L, View in Reaxys

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Saputra, Mirza A.; Ngo, Ly; Kartika, Rendy; Journal of Organic Chemistry; vol. 80; nb. 17; (2015); p. 8815 8820, View in Reaxys

Miranda, Miguel A.; Font-Sanchis, Enrique; Perez-Prieto, Julia; Journal of Organic Chemistry; vol. 64; nb. 11; (1999); p. 3802 - 3803, View in Reaxys; Utaka, Aline; Cavalcanti, Livia N.; Silva, Luiz F.; Chemical Communications; vol. 50; nb. 29; (2014); p. 3810 - 3813, View in Reaxys

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Li, Jing; Derstine, Brenden; Itoh, Takahiro; Balsells, Jaume; Tetrahedron Letters; vol. 55; nb. 20; (2014); p. 3137 - 3139, View in Reaxys

Ferroni; Smit; Opperman; Journal of Molecular Catalysis B: Enzymatic; vol. 107; (2014); p. 47 - 54, View in Reaxys

Ohkuma, Takeshi; Li, Jing; Noyori, Ryoji; Synlett; nb. 8; (2004); p. 1383 - 1386, View in Reaxys; Martinez, Alberto; Webber, Matthew J.; Mueller, Steffen; List, Benjamin; Angewandte Chemie - International Edition; vol. 52; nb. 36; (2013); p. 9486 - 9490; Angew. Chem.; vol. 125; nb. 36; (2013); p. 9664 - 9668,5, View in Reaxys

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

Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 - 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 - 7387, View in Reaxys

21c

Sasano, Yusuke; Nishiyama, Tomohiro; Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Heterocycles; vol. 87; nb. 10; (2013); p. 2109 - 2118, View in Reaxys

Sasano, Yusuke; Murakami, Keiichi; Nishiyama, Tomohiro; Kwon, Eunsang; Iwabuchi, Yoshiharu; Angewandte Chemie - International Edition; vol. 52; nb. 48; (2013); p. 12624 - 12627; Angew. Chem.; vol. 125; nb. 48; (2013); p. 12856 - 12859,4, View in Reaxys

Mazet, Clement; Chimia; vol. 67; nb. 9; (2013); p. 658 - 662, View in Reaxys

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(±)-7a

Girard, Simon A.; Knauber, Thomas; Zhou, Feng; Simon, Marc-Olivier; Li, Chao-Jun; Hu, Xiong; Deng, Guo-Jun; Organic Letters; vol. 14; nb. 21; (2012); p. 5606 - 5609,4, View in Reaxys

Compound 6

Patent; Daicel Chemical Industries, Ltd.; US7683167; (2010); (B2) English, View in Reaxys

Dunet, Guillaume; Mayer, Peter; Knochel, Paul; Organic Letters; vol. 10; nb. 1; (2008); p. 117 - 120, View in Reaxys

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

31b

Tanaka, Shu; Anai, Takehiro; Tadokoro, Makoto; Satoh, Tsuyoshi; Tetrahedron; vol. 64; nb. 30-31; (2008); p. 7199 - 7210, View in Reaxys

(+/-)-15

Fernandez, Rosario; Ros, Abel; Magriz, Antonio; Dietrich, Hansjoerg; Lassaletta, Jose M.; Tetrahedron; vol. 63; nb. 29; (2007); p. 6755 - 6763, View in Reaxys

rac-1a

Hollmann, Frank; Taglieber, Andreas; Schulz, Frank; Reetz, Manfred T.; Angewandte Chemie - International Edition; vol. 46; nb. 16; (2007); p. 2903 - 2906, View in Reaxys

Santos, Roberto P.; Lopes, Rosangela S. C.; Lopes, Claudio C.; Synthesis; nb. 6; (2001); p. 845 - 848, View in Reaxys; Benati, Luisa; Leardini, Rino; Minozzi, Matteo; Nanni, Daniele; Spagnolo, Piero; Strazzari, Samantha; Zanardi, Giuseppe; Calestani, Gianluca; Tetrahedron; vol. 58; nb. 18; (2002); p. 3485 3492, View in Reaxys; Aggarwal, Varinder K.; Olofsson, Berit; Angewandte Chemie - International Edition; vol. 44; nb. 34; (2005); p. 5516 - 5519, View in Reaxys; Churruca, Fatima; SanMartin, Raul; Tellitu, Imanol; Dominguez, Esther; Tetrahedron Letters; vol. 47; nb. 19; (2006); p. 3233 - 3237, View in Reaxys

Kurihara, Masaaki; Hakamata, Wataru; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3413 3415, View in Reaxys; Itoh, Yoshimitsu; Mikami, Koichi; Tetrahedron; vol. 62; nb. 30; (2006); p. 7199 7203, View in Reaxys

41, R1=Ph, n=1

Pinard, Emmanuel; Ceccarelli, Simona M.; Stalder, Henri; Alberati, Daniela; Bioorganic and Medicinal Chemistry Letters; vol. 16; nb. 2; (2006); p. 349 - 353, View in Reaxys

12b

Satoh, Tsuyoshi; Tanaka, Shu; Asakawa, Naoyuki; Tetrahedron Letters; vol. 47; nb. 38; (2006); p. 6769 6773, View in Reaxys

rac 15 (R1=H)

Alberati, Daniela; Ceccarelli, Simona M.; Jolidon, Synese; Krafft, Eva A.; Kurt, Anke; Maier, Axel; Pinard, Emmanuel; Stalder, Henri; Studer, Deborah; Thomas, Andrew W.; Zimmerli, Daniel; Bioorganic and Medicinal Chemistry Letters; vol. 16; nb. 16; (2006); p. 4305 - 4310, View in Reaxys

Iwama, Tetsuo; Rawal, Viresh H.; Organic Letters; vol. 8; nb. 25; (2006); p. 5725 - 5728, View in Reaxys

Oshita, Masayuki; Okazaki, Takao; Ohe, Kouichi; Chatani, Naoto; Organic Letters; vol. 7; nb. 2; (2005); p. 331 - 334, View in Reaxys

3, Tab. 2

Bocola, Marco; Schulz, Frank; Leca, Francois; Vogel, Andreas; Fraaije, Marco W.; Reetz, Manfred T.; Advanced Synthesis and Catalysis; vol. 347; nb. 7-8; (2005); p. 979 - 986, View in Reaxys

rac-6

Gonzalez-Sabin, Javier; Gotor, Vicente; Rebolledo, Francisca; Tetrahedron Asymmetry; vol. 16; nb. 18; (2005); p. 3070 - 3076, View in Reaxys

Itoh, Yoshimitsu; Mikami, Koichi; Organic Letters; vol. 7; nb. 22; (2005); p. 4883 - 4885, View in Reaxys

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product T.2 r.8

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

(+/-)-1

Ishihara, Kazuaki; Yano, Takayuki; Organic Letters; vol. 6; nb. 12; (2004); p. 1983 - 1986, View in Reaxys

Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A.; Chemistry - A European Journal; vol. 10; nb. 24; (2004); p. 6333 - 6342, View in Reaxys

Fukuzawa, Shin-Ichi; Nakano, Narihito; Saitoh, Takahide; European Journal of Organic Chemistry; nb. 13; (2004); p. 2863 - 2867, View in Reaxys

starting to rac-7

Cativiela, Carlos; Lopez, Pilar; Lasa, Marta; European Journal of Organic Chemistry; nb. 18; (2004); p. 3898 - 3908, View in Reaxys

1o-1

Yoshida, Masahiro; Fujita, Mika; Ishii, Tooru; Ihara, Masataka; Journal of the American Chemical Society; vol. 125; nb. 16; (2003); p. 4874 - 4881, View in Reaxys

13b

Tripathy, Sasmita; Reddy, Ranga; Durst, Tony; Canadian Journal of Chemistry; vol. 81; nb. 9; (2003); p. 997 - 1002, View in Reaxys

Table 2 entry 12 ketone

Miller, Joseph A.; Tetrahedron Letters; vol. 43; nb. 39; (2002); p. 7111 - 7114, View in Reaxys

2-PCH

Kohtani, Shigeru; Sugiyama, Masahide; Fujiwara, Yoshihisa; Tanimoto, Yoshifumi; Nakagaki, Ryoichi; Bulletin of the Chemical Society of Japan; vol. 75; nb. 6; (2002); p. 1223 - 1233, View in Reaxys

Bolm, Carsten; Saladin, Sandra; Kasyan, Andrey; Organic Letters; vol. 4; nb. 26; (2002); p. 4631 - 4633, View in Reaxys

starting to 7

Peng, Yungui; Feng, Xiaoming; Yu, Kaibai; Li, Zhi; Jiang, Yaozhong; Yeung, Chi-Hung; Journal of Organometallic Chemistry; vol. 619; nb. 1-2; (2001); p. 204 - 208, View in Reaxys

11: R1R2=(CH2)4

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

(+/-)-11

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 124, View in Reaxys

Takeda, Takeshi; Taguchi, Haruhiko; Fujiwara, Tooru; Tetrahedron Letters; vol. 41; nb. 1; (2000); p. 65 68, View in Reaxys

rac-4

Chankvetadze, Bezhan; Yamamoto, Chiyo; Okamoto, Yoshio; Chemistry Letters; nb. 4; (2000); p. 352 353, View in Reaxys

Wong, Wai C.; Sun, Wanying; Cui, Weili; Chen, Yuewen; Forray, Carlos; Vaysse, Pierre J.-J.; Branchek, Theresa A.; Gluchowski, Charles; Journal of Medicinal Chemistry; vol. 43; nb. 9; (2000); p. 1699 - 1704, View in Reaxys

Larsen, Janus S.; Christensen, Lene; Ludvig, Gitte; Jorgensen, Per T.; Pedersen, Erik B.; Nielsen, Claus; Journal of the Chemical Society, Perkin Transactions 1; nb. 18; (2000); p. 3035 - 3038, View in Reaxys

4a/4b

Nakamura, Shingo; Kaneeda, Masanobu; Ishihara, Kazuaki; Yamamoto, Hisashi; Journal of the American Chemical Society; vol. 122; nb. 34; (2000); p. 8120 - 8130, View in Reaxys

cyclic ketone l

Smith, Brenton T.; Gracias, Vijaya; Aube, Jeffrey; Journal of Organic Chemistry; vol. 65; nb. 12; (2000); p. 3771 - 3774, View in Reaxys

He, Liangyou; Kanamori, Miyuki; Horiuchi, C. Akira; Journal of Chemical Research - Part S; nb. 2; (1999); p. 122 - 123, View in Reaxys

Tab.1, entry 9, ke- Bhattacharyya, Sukanta; Neidigh, Kurt A.; Avery, Mitchell A.; Williamson, John S.; Synlett; nb. 11; tone (1999); p. 1781 - 1783, View in Reaxys entry 24 (product) Ranu, Brindaban C.; Jana, Umasish; Journal of Organic Chemistry; vol. 63; nb. 23; (1998); p. 8212 - 8216, View in Reaxys Patent-Specific Data (5) Prophetic ComLocation in Patent References pound Patent; Zhejiang Xinhecheng Co., Ltd.; Zhejiang University; Che Laibin; Zhang Yuhong; Li Tianwen; Zhang Jiachun; Li Qichuan; (9 pag.); CN106748693; (2017); (A) Chinese, View in Reaxys Patent; Lanzhou University; Zhang Fumin; Peng Rui; Zhang Zhiqiang; (13 pag.); CN106632200; (2017); (A) Chinese, View in Reaxys

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Patent; Ceccarelli, Simona Maria; Jolidon, Synese; Pinard, Emmanuel; Thomas, Andrew William; US2005/154001; (2005); (A1) English, View in Reaxys Claim

prophetic product

Patent; Bayer Aktiengesellschaft; US3932536; (1976); (A1) English, View in Reaxys; Patent; DSM N.V.; EP1211275; (2002); (A1) English, View in Reaxys; Patent; Bramucci, Michael G.; Brzostowicz, Patricia C.; Kostichka, Kristy N.; Nagarajan, Vasantha; Rouviere, Pierre E.; Thomas, Stuart M.; US2003/124695; (2003); (A1) English, View in Reaxys Patent; Rhone-Poulenc Chimie; US4983767; (1991); (A1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

2.41

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

17.07

Lipinski Number

Veber Number

Derivative (11) Comment (Derivative)

References

2,4-Dinitrophenyl- Farberov et al.; Journal of Organic Chemistry USSR (English Translation); vol. 10; (1974); p. 48,51; Zhurnal hydrazon: F: Organicheskoi Khimii; vol. 10; (1974); p. 50, View in Reaxys 136grad 2,4-Dinitrophenyl- Birch et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry hydrazon: F: (1972-1999); (1973); p. 1882,1891, View in Reaxys 136-138grad gelb 2,4-Dinitro-phenylhydrazon: F: 137-138grad

Salesskaja; Nezezkaja; Journal of Organic Chemistry USSR (English Translation); vol. 5; (1969); p. 1563; Zhurnal Organicheskoi Khimii; vol. 5; (1969); p. 1605, View in Reaxys

Oxim F: 175-176grad

Kesavan; Arumugam; Indian Journal of Chemistry; vol. 6; (1968); p. 694,695, View in Reaxys

Acetylhydrazon: F: 156-157grad

Minardi et al.; Annali di Chimica (Rome, Italy); vol. 58; (1968); p. 1336, View in Reaxys

Oxim (C12H15NO), F: 168-169grad

Yoshitake; Yakugaku Zasshi; vol. 83; (1963); p. 532,540; Chem.Abstr.; vol. 59; nb. 7407; (1963), View in Reaxys

Semicarbazon (C13H17N3O), F: 188-190grad

Yoshitake; Yakugaku Zasshi; vol. 83; (1963); p. 532,540; Chem.Abstr.; vol. 59; nb. 7407; (1963), View in Reaxys

Dinitrophenylhydrazon, F: 139grad

Mandrou,A.-M. et al.; Bulletin de la Societe Chimique de France; (1962); p. 1546 - 1554, View in Reaxys

Semicarbazon: F: 205grad

Kern et al.; Makromolekulare Chemie; vol. 42; (1960); p. 177,186, View in Reaxys

2,4-dinitro-phenyl- Hussey; Herr; Journal of Organic Chemistry; vol. 24; (1959); p. 843, View in Reaxys hydrazone (mp: 137-138 degree ) 2,4-dinitro-phenyl- Bachmann et al.; Journal of the American Chemical Society; vol. 72; (1950); p. 1995,1998, View in Reaxys hydrazone (mp: 138-139 degree ) Purification (1) References Hesse,G.; Hagel,R.; Justus Liebigs Annalen der Chemie; (1976); p. 996 - 1008, View in Reaxys Melting Point (36) 1 of 36

Melting Point [°C]

64 - 66

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Location

supporting information

Wang, Jun-Li; Li, Hui-Jing; Wang, Hong-Shuang; Wu, Yan-Chao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys 2 of 36

Melting Point [°C]

56.8 - 58.6

Location

supporting information

Cao, Changsheng; Wang, Lingling; Cai, Zhengyuan; Zhang, Lingqiao; Guo, Jin; Pang, Guangsheng; Shi, Yanhui; European Journal of Organic Chemistry; nb. 8; (2011); p. 1570 - 1574, View in Reaxys 3 of 36

Melting Point [°C]

Solvent (Melting Point)

hexane

Rettig, Martin; Sigrist, Andreas; Retey, Janos; Helvetica Chimica Acta; vol. 83; nb. 9; (2000); p. 2246 - 2265, View in Reaxys 4 of 36

Melting Point [°C]

55 - 56

Rathke, Michael W.; Vogiazoglou, Demetris; Journal of Organic Chemistry; vol. 52; nb. 16; (1987); p. 3697 - 3698, View in Reaxys; Kimura, Makoto; Kobayashi, Kazutaka; Yamamoto, Yasushi; Sawaki, Yasuhiko; Tetrahedron; vol. 52; nb. 12; (1996); p. 4303 - 4310, View in Reaxys 5 of 36

Melting Point [°C]

56 - 59

Solvent (Melting Point)

ethanol

Choi, Thomas; Peterfy, Krisztina; Khan, Saeed I.; Garcia-Garibay, Miguel A.; Journal of the American Chemical Society; vol. 118; nb. 49; (1996); p. 12477 - 12478, View in Reaxys 6 of 36

Melting Point [°C]

41 - 43

Galli, Carlo; Gentili, Patrizia; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 6; (1993); p. 1135 - 1140, View in Reaxys 7 of 36

Melting Point [°C]

58 - 59

Solvent (Melting Point)

hexane

Ohwada, Tomohiko; Okabe, Kazuaki; Ohta, Toshiharu; Shudo, Koichi; Tetrahedron; vol. 46; nb. 21; (1990); p. 7539 - 7555, View in Reaxys 8 of 36

Melting Point [°C]

54 - 56

Solvent (Melting Point)

petroleum ether; diethyl ether

Nachtsheim, Corina M.; Frahm, August W.; Archiv der Pharmazie (Weinheim, Germany); vol. 322; (1989); p. 187 - 197, View in Reaxys 9 of 36

Melting Point [°C]

54 - 57

Solvent (Melting Point)

hexane

Hori, Mikio; Kataoka, Tadashi; Shimizu, Hiroshi; Imai, Eiji; Iwamura, Tatsunori; Maeda, Kaori; Chemical and Pharmaceutical Bulletin; vol. 34; nb. 9; (1986); p. 3599 - 3605, View in Reaxys 10 of 36

Melting Point [°C]

57 - 58

Solvent (Melting Point)

hexane

Hoshi, Nobuto; Sato, Kazuhiro; Uda, Hisashi; Hagiwara, Hisahiro; Journal of Chemical Research, Miniprint; nb. 12; (1984); p. 3501 - 3596, View in Reaxys 11 of 36

Melting Point [°C]

58 - 59

Kosugi, Masanori; Hagiwara, Isao; Sumiya, Takashi; Migita, Toshihiko; Journal of the Chemical Society, Chemical Communications; nb. 7; (1983); p. 344 - 345, View in Reaxys 12 of 36

Melting Point [°C]

Youssef, Abdel-Hamid A.; Sharaf, Saber M.; Hegazy, Fatma M. El; Journal fuer Praktische Chemie (Leipzig); vol. 324; nb. 5; (1982); p. 725 - 734, View in Reaxys 13 of 36

Melting Point [°C]

54 - 55

Parcell, Robert F.; Sanchez, Joseph P.; Journal of Organic Chemistry; vol. 46; (1981); p. 5229 - 5231, View in Reaxys 14 of 36

Melting Point [°C]

57 - 59

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Sawaki,Y.; Ogata,Y.; Journal of the American Chemical Society; vol. 97; nb. 24; (1975); p. 6983 - 6989, View in Reaxys; House,H.O. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 700 - 710, View in Reaxys; Birch et al.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1973); p. 1882,1891, View in Reaxys 15 of 36

Melting Point [°C]

46 - 50

Prayer et al.; Australian Journal of Chemistry; vol. 31; (1978); p. 1989,1991, 1997, View in Reaxys 16 of 36

Melting Point [°C]

Hesse,G.; Hagel,R.; Justus Liebigs Annalen der Chemie; (1976); p. 996 - 1008, View in Reaxys 17 of 36

Melting Point [°C]

Farberov et al.; Journal of Organic Chemistry USSR (English Translation); vol. 10; (1974); p. 48,51; Zhurnal Organicheskoi Khimii; vol. 10; (1974); p. 50, View in Reaxys 18 of 36

Melting Point [°C]

48 - 50

Dimmock; Turner; Canadian Journal of Pharmaceutical Sciences; vol. 9; (1974); p. 33,34-35, View in Reaxys 19 of 36

Melting Point [°C]

54 - 56

Heaney; Ley; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1974); p. 2693, View in Reaxys 20 of 36

Melting Point [°C]

50 - 52

Bowman et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 2084,2089, View in Reaxys 21 of 36

Melting Point [°C]

56 - 57

House,H.O. et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 8471 - 8475, View in Reaxys 22 of 36

Melting Point [°C]

59 - 60

Caubere,P. et al.; Bulletin de la Societe Chimique de France; (1971); p. 302 - 307, View in Reaxys 23 of 36

Melting Point [°C]

58 - 60

Allinger et al.; Journal of Organic Chemistry; vol. 36; (1971); p. 739,741, 743, View in Reaxys 24 of 36

Melting Point [°C]

Rosenmund,P. et al.; Chemische Berichte; vol. 103; (1970); p. 496 - 509, View in Reaxys 25 of 36

Melting Point [°C]

55 - 58

Salesskaja; Nezezkaja; Journal of Organic Chemistry USSR (English Translation); vol. 5; (1969); p. 1563; Zhurnal Organicheskoi Khimii; vol. 5; (1969); p. 1605, View in Reaxys 26 of 36

Melting Point [°C]

56 - 58

Solvent (Melting Point)

hexane

Sisti; Journal of Organic Chemistry; vol. 33; (1968); p. 453, View in Reaxys 27 of 36

Melting Point [°C]

Solvent (Melting Point)

diethyl ether; petroleum ether

Crouzet,J. et al.; Bulletin de la Societe Chimique de France; (1967); p. 3722 - 3729, View in Reaxys 28 of 36

Melting Point [°C]

57 - 60

Botteron; Wood; Journal of Organic Chemistry; vol. 30; (1965); p. 3871,3874, View in Reaxys 29 of 36

Melting Point [°C]

61 - 62

Solvent (Melting Point)

diethyl ether

Yoshitake; Yakugaku Zasshi; vol. 83; (1963); p. 532,540; Chem.Abstr.; vol. 59; nb. 7407; (1963), View in Reaxys 30 of 36

Melting Point [°C]

53 - 55

Solvent (Melting Point)

petroleum ether

Woods,G.F.; Scotti,F.; Journal of Organic Chemistry; vol. 26; (1961); p. 312 - 318, View in Reaxys 31 of 36

Melting Point [°C]

64 - 65

Wilt,J.W.; Philip,B.H.; Journal of Organic Chemistry; vol. 25; (1960); p. 891 - 899, View in Reaxys

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32 of 36

Solvent (Melting Point)

petroleum ether

Goldschmidt; Veer; Recueil des Travaux Chimiques des Pays-Bas; vol. 67; (1948); p. 489,506, View in Reaxys 33 of 36

Melting Point [°C]

58.5 - 59.5

Goldschmidt; Veer; Recueil des Travaux Chimiques des Pays-Bas; vol. 67; (1948); p. 489,506, View in Reaxys 34 of 36

Melting Point [°C]

Tiffeneau; Tchoubar; Le Tellier; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 217; (1943); p. 588, View in Reaxys 35 of 36

Melting Point [°C]

v. Braun; Gruber; Kirschbaum; Chemische Berichte; vol. 55; (1922); p. 3672, View in Reaxys 36 of 36

Melting Point [°C]

Solvent (Melting Point)

ethanol

Le Brazidec; Bulletin de la Societe Chimique de France; vol. <4> 17; (1915); p. 101, View in Reaxys Boiling Point (14) Boiling Point [°C] Pressure (Boiling Point) [Torr]

References

120

Galli, Carlo; Gentili, Patrizia; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 6; (1993); p. 1135 - 1140, View in Reaxys

136 - 137

Nachtsheim, Corina M.; Frahm, August W.; Archiv der Pharmazie (Weinheim, Germany); vol. 322; (1989); p. 187 - 197, View in Reaxys

3.8

Kuchar, Miroslav; Brunova, Bohumila; Grimova, Jaroslava; Vanecek, Stanislav; Holubek, Jiri; Collection of Czechoslovak Chemical Communications; vol. 51; nb. 12; (1986); p. 2896 - 2908, View in Reaxys

120 - 123

Hori, Mikio; Kataoka, Tadashi; Shimizu, Hiroshi; Imai, Eiji; Iwamura, Tatsunori; Maeda, Kaori; Chemical and Pharmaceutical Bulletin; vol. 34; nb. 9; (1986); p. 3599 - 3605, View in Reaxys

108 - 110

Hoshi, Nobuto; Sato, Kazuhiro; Uda, Hisashi; Hagiwara, Hisahiro; Journal of Chemical Research, Miniprint; nb. 12; (1984); p. 3501 - 3596, View in Reaxys

143 - 145

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

160 - 165

Youssef, Abdel-Hamid A.; Sharaf, Saber M.; Hegazy, Fatma M. El; Journal fuer Praktische Chemie (Leipzig); vol. 324; nb. 5; (1982); p. 725 - 734, View in Reaxys

92 - 96

0.1

Villieras,J. et al.; Synthesis; (1979); p. 968 - 970, View in Reaxys

119 - 120

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

155

0.5

Dimmock; Turner; Canadian Journal of Pharmaceutical Sciences; vol. 9; (1974); p. 33,34-35, View in Reaxys

139 - 140

Caubere,P. et al.; Bulletin de la Societe Chimique de France; (1971); p. 302 - 307, View in Reaxys

138

Crouzet,J. et al.; Bulletin de la Societe Chimique de France; (1967); p. 3722 - 3729, View in Reaxys

0.5

Mandrou,A.-M. et al.; Bulletin de la Societe Chimique de France; (1962); p. 1546 - 1554, View in Reaxys

160

Woods,G.F.; Scotti,F.; Journal of Organic Chemistry; vol. 26; (1961); p. 312 - 318, View in Reaxys

Chromatographic Data (3) Chromatographic Location data

References

GC (Gas chroma- supporting infortography) mation

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

TLC (Thin layer chromatography)

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

supporting information

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GC (Gas chromatography)

Leipold, Friedemann; Rudroff, Florian; Mihovilovic, Marko D.; Bornscheuer, Uwe T.; Tetrahedron Asymmetry; vol. 24; nb. 24; (2013); p. 1620 - 1624, View in Reaxys

Circular Dichroism (1) Solvent (Circular References Dichroism) propan-2-ol

Kohtani, Shigeru; Sugiyama, Masahide; Fujiwara, Yoshihisa; Tanimoto, Yoshifumi; Nakagaki, Ryoichi; Bulletin of the Chemical Society of Japan; vol. 75; nb. 6; (2002); p. 1223 - 1233, View in Reaxys

Conformation (1) Object of Investi- References gation Conformation

Haroutounian, Serkos A.; Georgiadis, Minas P.; Polissiou, Moschos G.; Journal of Heterocyclic Chemistry; vol. 26; (1989); p. 1283 - 1287, View in Reaxys

Crystal Phase (1) Description (Crys- Comment (Crystal References tal Phase) Phase) Crystal structure determination

β=118.3 grad, a=14.22 Angstroem, b=5.55 Angstroem, c=125.66 Angstroem, n=8.; Method of determination: X-ray Diffraction

Crystal Property Description (7) Colour & Other Location Properties

Choi, Thomas; Peterfy, Krisztina; Khan, Saeed I.; Garcia-Garibay, Miguel A.; Journal of the American Chemical Society; vol. 118; nb. 49; (1996); p. 12477 - 12478, View in Reaxys

References

white

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 6183, View in Reaxys; Wang, Jun-Li; Li, Hui-Jing; Wang, Hong-Shuang; Wu, YanChao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys; Wappes, Ethan A.; Nakafuku, Kohki M.; Nagib, David A.; Journal of the American Chemical Society; vol. 139; nb. 30; (2017); p. 10204 - 10207, View in Reaxys

colourless

supporting information

Zhang, Guoting; Hu, Xia; Chiang, Chien-Wei; Yi, Hong; Pei, Pengkun; Singh, Atul K.; Lei, Aiwen; Journal of the American Chemical Society; vol. 138; nb. 37; (2016); p. 12037 - 12040, View in Reaxys

yellow

supporting information

Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 - 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 7387, View in Reaxys

white

supporting information

Cao, Changsheng; Wang, Lingling; Cai, Zhengyuan; Zhang, Lingqiao; Guo, Jin; Pang, Guangsheng; Shi, Yanhui; European Journal of Organic Chemistry; nb. 8; (2011); p. 1570 - 1574, View in Reaxys; Reichle, Markus A.; Breit, Bernhard; Angewandte Chemie - International Edition; vol. 51; nb. 23; (2012); p. 5730 - 5734, View in Reaxys

yellow

supporting information

Peng, Cheng; Zhang, Wei; Yan, Guobing; Wang, Jianbo; Organic Letters; vol. 11; nb. 7; (2009); p. 1667 - 1670, View in Reaxys

yellow

Dubey, Abhishek; Kandula, Subba Rao V.; Kumar, Pradeep; Synthetic Communications; vol. 38; nb. 5; (2008); p. 746 - 753, View in Reaxys

light-yellow

Wang, Xiang; Pei, Tao; Han, Xiaoqing; Widenhoefer, Ross A.; Organic Letters; vol. 5; nb. 15; (2003); p. 2699 - 2701, View in Reaxys; Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A.; Chemistry - A European Journal; vol. 10; nb. 24; (2004); p. 6333 - 6342, View in Reaxys

Crystal System (1) Crystal System References monoclinic

Choi, Thomas; Peterfy, Krisztina; Khan, Saeed I.; Garcia-Garibay, Miguel A.; Journal of the American Chemical Society; vol. 118; nb. 49; (1996); p. 12477 - 12478, View in Reaxys

Dissociation Energy (1) Dissociation EnBond Type ergy [Jmol-1]

References

10/43

2018-01-23 08:07:05

376812

Ph-chexan.

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

Electrical Moment (1) 1 of 1

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.13

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

benzene

Alpen; Kumler; Journal of the American Chemical Society; vol. 72; (1950); p. 5745, View in Reaxys Electrochemical Characteristics (1) 1 of 1

Description (Electrochemical Characteristics)

redox potential

Solvent (Electrochemical Characteristics)

tetrahydrofuran

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochem- -3 V; Product: /BRN= 7995468/. No. of transm. electrons: 1. Method: cyclovoltammetry. ical Characteristics) Description: vs. SCE Product

2-Phenyl-cyclohexanone

Galli, Carlo; Gentili, Patrizia; Acta Chemica Scandinavica; vol. 52; nb. 1; (1998); p. 67 - 76, View in Reaxys Further Information (2) Description (Fur- References ther Information) Further information

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

Further information

Conia,J.-M.; Le Perchec,P.; Bulletin de la Societe Chimique de France; (1966); p. 281 - 287, View in Reaxys

Space Group (1) Space Group 14

References Choi, Thomas; Peterfy, Krisztina; Khan, Saeed I.; Garcia-Garibay, Miguel A.; Journal of the American Chemical Society; vol. 118; nb. 49; (1996); p. 12477 - 12478, View in Reaxys

NMR Spectroscopy (46) 1 of 46

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

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys; Wang, Jun-Li; Li, Hui-Jing; Wang, Hong-Shuang; Wu, Yan-Chao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys 2 of 46

Description (NMR Spec- Chemical shifts; Spectrum troscopy)

11/43

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Nucleus (NMR Spectroscopy)

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

400

Location

supporting information

Zhang, Guoting; Hu, Xia; Chiang, Chien-Wei; Yi, Hong; Pei, Pengkun; Singh, Atul K.; Lei, Aiwen; Journal of the American Chemical Society; vol. 138; nb. 37; (2016); p. 12037 - 12040, View in Reaxys; Wang, Jun-Li; Li, HuiJing; Wang, Hong-Shuang; Wu, Yan-Chao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys 3 of 46

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

Location

supporting information

Das, Anjan; Banerjee, Tanmay; Hanson, Kenneth; Chemical Communications; vol. 52; nb. 7; (2016); p. 1350 1353, View in Reaxys 4 of 46

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

13C

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

101

Location

supporting information

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

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

400

Location

supporting information

Cao, Changsheng; Wang, Lingling; Cai, Zhengyuan; Zhang, Lingqiao; Guo, Jin; Pang, Guangsheng; Shi, Yanhui; European Journal of Organic Chemistry; nb. 8; (2011); p. 1570 - 1574, View in Reaxys; Sasano, Yusuke; Murakami, Keiichi; Nishiyama, Tomohiro; Kwon, Eunsang; Iwabuchi, Yoshiharu; Angewandte Chemie - International Edition; vol. 52; nb. 48; (2013); p. 12624 - 12627; Angew. Chem.; vol. 125; nb. 48; (2013); p. 12856 12859,4, View in Reaxys 6 of 46

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

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Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys 7 of 46

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

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

26.84

Frequency (NMR Spectroscopy) [MHz]

300

Location

supporting information

Alsabeh, Pamela G.; Stradiotto, Mark; Angewandte Chemie - International Edition; vol. 52; nb. 28; (2013); p. 7242 - 7246; Angew. Chem.; vol. 125; nb. 28; (2013); p. 7383 - 7387, View in Reaxys 8 of 46

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

13C

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

26.84

Frequency (NMR Spectroscopy) [MHz]

Location

supporting information

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

13C

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

100

Location

supporting information

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

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

400.1

Location

supporting information

Reichle, Markus A.; Breit, Bernhard; Angewandte Chemie - International Edition; vol. 51; nb. 23; (2012); p. 5730 5734, View in Reaxys

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11 of 46

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

13C

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

100.6

Location

supporting information

Reichle, Markus A.; Breit, Bernhard; Angewandte Chemie - International Edition; vol. 51; nb. 23; (2012); p. 5730 5734, View in Reaxys 12 of 46

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

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

300

Location

supporting information

Peng, Cheng; Zhang, Wei; Yan, Guobing; Wang, Jianbo; Organic Letters; vol. 11; nb. 7; (2009); p. 1667 - 1670, View in Reaxys; Miyoshi, Tetsuya; Miyakawa, Takayuki; Ueda, Masafumi; Miyata, Okiko; Angewandte Chemie International Edition; vol. 50; nb. 4; (2011); p. 928 - 931, View in Reaxys 13 of 46

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 troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

Balamurugan, Rengarajan; Gudla, Vanajakshi; Organic Letters; vol. 11; nb. 14; (2009); p. 3116 - 3119, View in Reaxys 15 of 46

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

14/43

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Balamurugan, Rengarajan; Gudla, Vanajakshi; Organic Letters; vol. 11; nb. 14; (2009); p. 3116 - 3119, View in Reaxys 16 of 46

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

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

200

Tripathy, Sasmita; Reddy, Ranga; Durst, Tony; Canadian Journal of Chemistry; vol. 81; nb. 9; (2003); p. 997 1002, View in Reaxys; Dubey, Abhishek; Kandula, Subba Rao V.; Kumar, Pradeep; Synthetic Communications; vol. 38; nb. 5; (2008); p. 746 - 753, View in Reaxys 17 of 46

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

13C

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

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

13C

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

Liu, Chao; He, Chuan; Shi, Wei; Chen, Mao; Lei, Aiwen; Organic Letters; vol. 9; nb. 26; (2007); p. 5601 - 5604, View in Reaxys; Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 - 3522, View in Reaxys 19 of 46

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

13C

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

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

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

300

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

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

300

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

26.85

Frequency (NMR Spectroscopy) [MHz]

400.132

Iwama, Tetsuo; Rawal, Viresh H.; Organic Letters; vol. 8; nb. 25; (2006); p. 5725 - 5728, View in Reaxys 23 of 46

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

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

26.85

Frequency (NMR Spectroscopy) [MHz]

400.132

Iwama, Tetsuo; Rawal, Viresh H.; Organic Letters; vol. 8; nb. 25; (2006); p. 5725 - 5728, View in Reaxys 24 of 46

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

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

26.85

Frequency (NMR Spectroscopy) [MHz]

400.132

Iwama, Tetsuo; Rawal, Viresh H.; Organic Letters; vol. 8; nb. 25; (2006); p. 5725 - 5728, View in Reaxys 25 of 46

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

13C

Solvents (NMR Spectro- CDCl3 scopy)

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Temperature (NMR Spectroscopy) [°C]

26.85

Frequency (NMR Spectroscopy) [MHz]

125.773

Iwama, Tetsuo; Rawal, Viresh H.; Organic Letters; vol. 8; nb. 25; (2006); p. 5725 - 5728, View in Reaxys 26 of 46

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

13C

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

26.85

Frequency (NMR Spectroscopy) [MHz]

125.773

Iwama, Tetsuo; Rawal, Viresh H.; Organic Letters; vol. 8; nb. 25; (2006); p. 5725 - 5728, View in Reaxys 27 of 46

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

Frequency (NMR Spectroscopy) [MHz]

400

Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A.; Chemistry - A European Journal; vol. 10; nb. 24; (2004); p. 6333 - 6342, View in Reaxys 28 of 46

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

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

Frequency (NMR Spectroscopy) [MHz]

400

Han, Xiaoqing; Wang, Xiang; Pei, Tao; Widenhoefer, Ross A.; Chemistry - A European Journal; vol. 10; nb. 24; (2004); p. 6333 - 6342, View in Reaxys 29 of 46

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

200

Tripathy, Sasmita; Reddy, Ranga; Durst, Tony; Canadian Journal of Chemistry; vol. 81; nb. 9; (2003); p. 997 1002, View in Reaxys 30 of 46

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

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

400

Pei, Tao; Widenhoefer, Ross A.; Chemical Communications; nb. 6; (2002); p. 650 - 651, View in Reaxys; Wang, Xiang; Pei, Tao; Han, Xiaoqing; Widenhoefer, Ross A.; Organic Letters; vol. 5; nb. 15; (2003); p. 2699 - 2701, View in Reaxys 31 of 46

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

400

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

13C

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

100

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

Solvents (NMR Spectro- CDCl3 scopy) Ohwada, Tomohiko; Okabe, Kazuaki; Ohta, Toshiharu; Shudo, Koichi; Tetrahedron; vol. 46; nb. 21; (1990); p. 7539 - 7555, View in Reaxys; Chen, Kuanchiang; Koser, Gerald F.; Journal of Organic Chemistry; vol. 56; nb. 20; (1991); p. 5764 - 5767, View in Reaxys; Pecunioso, Angelo; Menicagli, Rita; Journal of Organic Chemistry; vol. 53; nb. 1; (1988); p. 45 - 49, View in Reaxys; Nachtsheim, Corina M.; Frahm, August W.; Archiv der Pharmazie (Weinheim, Germany); vol. 322; (1989); p. 187 - 197, View in Reaxys; Galli, Carlo; Gentili, Patrizia; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 6; (1993); p. 1135 - 1140, View in Reaxys; Barentsen, Helma M.; Talman, Edger G.; Piet, Dennis P.; Cornelisse, Jan; Tetrahedron; vol. 51; nb. 27; (1995); p. 7469 - 7494, View in Reaxys; Kimura, Makoto; Kobayashi, Kazutaka; Yamamoto, Yasushi; Sawaki, Yasuhiko; Tetrahedron; vol. 52; nb. 12; (1996); p. 4303 - 4310, View in Reaxys; Kulasegaram, Sanjitha; Kulawiec, Robert J.; Journal of Organic Chemistry; vol. 62; nb. 19; (1997); p. 6547 - 6561, View in Reaxys; Santos, Roberto P.; Lopes, Rosangela S. C.; Lopes, Claudio C.; Synthesis; nb. 6; (2001); p. 845 - 848, View in Reaxys 34 of 46

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

13C

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of the American Chemical Society; vol. 121; nb. 7; (1999); p. 1473 - 1478, View in Reaxys; Santos, Roberto P.; Lopes, Rosangela S. C.; Lopes, Claudio C.; Synthesis; nb. 6; (2001); p. 845 - 848, View in Reaxys 35 of 46

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- CDCl3 scopy) Santos, Roberto P.; Lopes, Rosangela S. C.; Lopes, Claudio C.; Synthesis; nb. 6; (2001); p. 845 - 848, View in Reaxys 36 of 46

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

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

250

Rettig, Martin; Sigrist, Andreas; Retey, Janos; Helvetica Chimica Acta; vol. 83; nb. 9; (2000); p. 2246 - 2265, View in Reaxys 37 of 46

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

Coupling Nuclei

Solvents (NMR Spectro- CDCl3 scopy) Kawatsura, Motoi; Hartwig, John F.; Journal of the American Chemical Society; vol. 121; nb. 7; (1999); p. 1473 1478, View in Reaxys 38 of 46

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- CDCl3 scopy) Comment (NMR Spectroscopy)

1H-1H

Ohwada, Tomohiko; Okabe, Kazuaki; Ohta, Toshiharu; Shudo, Koichi; Tetrahedron; vol. 46; nb. 21; (1990); p. 7539 - 7555, View in Reaxys; Chen, Kuanchiang; Koser, Gerald F.; Journal of Organic Chemistry; vol. 56; nb. 20; (1991); p. 5764 - 5767, View in Reaxys; Pecunioso, Angelo; Menicagli, Rita; Journal of Organic Chemistry; vol. 53; nb. 1; (1988); p. 45 - 49, View in Reaxys; Barentsen, Helma M.; Talman, Edger G.; Piet, Dennis P.; Cornelisse, Jan; Tetrahedron; vol. 51; nb. 27; (1995); p. 7469 - 7494, View in Reaxys; Kimura, Makoto; Kobayashi, Kazutaka; Yamamoto, Yasushi; Sawaki, Yasuhiko; Tetrahedron; vol. 52; nb. 12; (1996); p. 4303 - 4310, View in Reaxys; Kulasegaram, Sanjitha; Kulawiec, Robert J.; Journal of Organic Chemistry; vol. 62; nb. 19; (1997); p. 6547 - 6561, View in Reaxys 39 of 46

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

13C

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

Haroutounian, Serkos A.; Georgiadis, Minas P.; Polissiou, Moschos G.; Journal of Heterocyclic Chemistry; vol. 26; (1989); p. 1283 - 1287, View in Reaxys 40 of 46

Description (NMR Spec- Chemical shifts troscopy)

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Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- CD3CN scopy) Rathke, Michael W.; Vogiazoglou, Demetris; Journal of Organic Chemistry; vol. 52; nb. 16; (1987); p. 3697 - 3698, View in Reaxys 41 of 46

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

13C

Solvents (NMR Spectro- CCl4 scopy) Barluenga, Jose; Alonso-Cires, Luisa; Campos, Pedro J.; Asensio, Gregorio; Tetrahedron; vol. 40; nb. 13; (1984); p. 2563 - 2568, View in Reaxys 42 of 46

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

Solvents (NMR Spectro- CCl4 scopy) Hoshi, Nobuto; Sato, Kazuhiro; Uda, Hisashi; Hagiwara, Hisahiro; Journal of Chemical Research, Miniprint; nb. 12; (1984); p. 3501 - 3596, View in Reaxys 43 of 46

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

1H-1H

Hoshi, Nobuto; Sato, Kazuhiro; Uda, Hisashi; Hagiwara, Hisahiro; Journal of Chemical Research, Miniprint; nb. 12; (1984); p. 3501 - 3596, View in Reaxys 44 of 46

Description (NMR Spec- CIDNP troscopy) Doubleday jr.; Chemical Physics Letters; vol. 64; (1979); p. 67, View in Reaxys

45 of 46

Description (NMR Spec- NMR troscopy) House,H.O. et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 8471 - 8475, View in Reaxys; House,H.O. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 700 - 710, View in Reaxys; Heaney; Ley; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999); (1974); p. 2693, View in Reaxys; Villieras et al.; Synthesis; (1979); p. 968, View in Reaxys; Dimmock; Turner; Canadian Journal of Pharmaceutical Sciences; vol. 9; (1974); p. 33,34-35, View in Reaxys; Crouzet et al.; Bulletin de la Societe Chimique de France; (1967); p. 3722, View in Reaxys; Sisti; Journal of Organic Chemistry; vol. 33; (1968); p. 453, View in Reaxys

46 of 46

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

Enolisier.: Untersch. Δδ = δ(CF3COOH)-δ(CH2CL2) v. d. linear Abh. zwischen chem. Verschieb. u. (ε-1)/(ε+1); α(1): Δδ(CF3COOH) = 19 Hz, Δδ(H2SO4) = 90 Hz, α(2): Δδ(CF3COOH) = 24 Hz, Δδ(H2SO4) = 90 Hz

Leschina et al.; Izvestiya Sibirskogo Otdeleniya Akademii Nauk SSSR, Seriya Khimicheskikh Nauk; vol. 4; (1971); p. 86,88, View in Reaxys IR Spectroscopy (14) 1 of 14

Description (IR Spectroscopy)

Bands

Location

supporting information

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Comment (IR Spectroscopy)

film

Wang, Jun-Li; Li, Hui-Jing; Wang, Hong-Shuang; Wu, Yan-Chao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys 2 of 14

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Location

supporting information

Vyas, Devendra J.; Larionov, Evgeny; Besnard, Celine; Guenee, Laure; Mazet, Clement; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6177 - 6183, View in Reaxys 3 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Location

supporting information

Description (IR Spectroscopy)

Bands

Location

supporting information

Comment (IR Spectroscopy)

neat (no solvent)

Miyoshi, Tetsuya; Miyakawa, Takayuki; Ueda, Masafumi; Miyata, Okiko; Angewandte Chemie - International Edition; vol. 50; nb. 4; (2011); p. 928 - 931, View in Reaxys 5 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Dubey, Abhishek; Kandula, Subba Rao V.; Kumar, Pradeep; Synthetic Communications; vol. 38; nb. 5; (2008); p. 746 - 753, View in Reaxys 6 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

film

Santos, Roberto P.; Lopes, Rosangela S. C.; Lopes, Claudio C.; Synthesis; nb. 6; (2001); p. 845 - 848, View in Reaxys; Li, Lezhen; Cai, Peijie; Guo, Qingxiang; Xue, Song; Journal of Organic Chemistry; vol. 73; nb. 9; (2008); p. 3516 - 3522, View in Reaxys 7 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

1695 cm**(-1)

Barentsen, Helma M.; Talman, Edger G.; Piet, Dennis P.; Cornelisse, Jan; Tetrahedron; vol. 51; nb. 27; (1995); p. 7469 - 7494, View in Reaxys 8 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1701 cm**(-1)

Chen, Kuanchiang; Koser, Gerald F.; Journal of Organic Chemistry; vol. 56; nb. 20; (1991); p. 5764 - 5767, View in Reaxys

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9 of 14

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

1700 cm**(-1)

Nachtsheim, Corina M.; Frahm, August W.; Archiv der Pharmazie (Weinheim, Germany); vol. 322; (1989); p. 187 - 197, View in Reaxys 10 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1715 cm**(-1)

Pecunioso, Angelo; Menicagli, Rita; Journal of Organic Chemistry; vol. 53; nb. 1; (1988); p. 45 - 49, View in Reaxys 11 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

1705 cm**(-1)

Hori, Mikio; Kataoka, Tadashi; Shimizu, Hiroshi; Imai, Eiji; Iwamura, Tatsunori; Maeda, Kaori; Chemical and Pharmaceutical Bulletin; vol. 34; nb. 9; (1986); p. 3599 - 3605, View in Reaxys 12 of 14

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3030 - 700 cm**(-1)

Hoshi, Nobuto; Sato, Kazuhiro; Uda, Hisashi; Hagiwara, Hisahiro; Journal of Chemical Research, Miniprint; nb. 12; (1984); p. 3501 - 3596, View in Reaxys 13 of 14

Description (IR Spectroscopy)

House,H.O. et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 8471 - 8475, View in Reaxys; House,H.O. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 700 - 710, View in Reaxys; Yoshitake; Yakugaku Zasshi; vol. 83; (1963); p. 532,540; Chem.Abstr.; vol. 59; nb. 7407; (1963), View in Reaxys; Crouzet et al.; Bulletin de la Societe Chimique de France; (1967); p. 3722, View in Reaxys; Sisti; Journal of Organic Chemistry; vol. 33; (1968); p. 453, View in Reaxys 14 of 14

Description (IR Spectroscopy)

Bands

Dimmock; Turner; Canadian Journal of Pharmaceutical Sciences; vol. 9; (1974); p. 33,34-35, View in Reaxys Mass Spectrometry (11) Description (Mass Location Spectrometry)

References

high resolution supporting informass spectrome- mation try (HRMS); spectrum

Jacobs, Brian P.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Inorganic Chemistry; vol. 55; nb. 9; (2016); p. 4223 - 4232, View in Reaxys; Wang, Jun-Li; Li, Hui-Jing; Wang, Hong-Shuang; Wu, Yan-Chao; Organic Letters; vol. 19; nb. 14; (2017); p. 3811 - 3814, View in Reaxys

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

Fürst, Maximilian J.L.J.; Savino, Simone; Dudek, Hanna M.; Castellanos, J. Rúben Gómez; De Souza, Cora Gutiérrez; Rovida, Stefano; Fraaije, Marco W.; Mattevi, Andrea; Journal of the American Chemical Society; vol. 139; nb. 2; (2017); p. 627 - 630, View in Reaxys

gas chromatography mass spectrometry (GCMS); spectrum

Silarska; Trzeciak; Journal of Molecular Catalysis A: Chemical; vol. 408; (2015); p. 1 11; Art.No: 9553, View in Reaxys

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electrospray ionisation (ESI); spectrum

supporting information

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

spectrum

supporting information

high resolution mass spectrometry (HRMS); electron impact (EI); spectrum

supporting information

ESI (Electrospray supporting inforionisation); HRMS mation (High resolution mass spectrometry); Spectrum

Miyoshi, Tetsuya; Miyakawa, Takayuki; Ueda, Masafumi; Miyata, Okiko; Angewandte Chemie - International Edition; vol. 50; nb. 4; (2011); p. 928 - 931, View in Reaxys

GCMS (Gas chro- supporting informatography mass mation spectrometry); Spectrum

Cao, Changsheng; Wang, Lingling; Cai, Zhengyuan; Zhang, Lingqiao; Guo, Jin; Pang, Guangsheng; Shi, Yanhui; European Journal of Organic Chemistry; nb. 8; (2011); p. 1570 - 1574, View in Reaxys

spectrum; electron impact (EI)

Santos, Roberto P.; Lopes, Rosangela S. C.; Lopes, Claudio C.; Synthesis; nb. 6; (2001); p. 845 - 848, View in Reaxys

spectrum

Pecunioso, Angelo; Menicagli, Rita; Journal of Organic Chemistry; vol. 53; nb. 1; (1988); p. 45 - 49, View in Reaxys House,H.O. et al.; Journal of the American Chemical Society; vol. 94; (1972); p. 8471 8475, View in Reaxys; House,H.O. et al.; Journal of Organic Chemistry; vol. 43; (1978); p. 700 - 710, View in Reaxys

UV/VIS Spectroscopy (8) 1 of 8

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

propan-2-ol

Kohtani, Shigeru; Sugiyama, Masahide; Fujiwara, Yoshihisa; Tanimoto, Yoshifumi; Nakagaki, Ryoichi; Bulletin of the Chemical Society of Japan; vol. 75; nb. 6; (2002); p. 1223 - 1233, View in Reaxys 2 of 8

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ 300; 310; 322 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

34; 20; 9

Koppes, Margareth J. C. M.; Cerfontain, Hans; Recueil des Travaux Chimiques des Pays-Bas; vol. 107; nb. 6; (1988); p. 412 - 417, View in Reaxys 3 of 8

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ 263; 268; 281; 289 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

115; 89; 46; 44

Koppes, Margareth J. C. M.; Cerfontain, Hans; Recueil des Travaux Chimiques des Pays-Bas; vol. 107; nb. 6; (1988); p. 412 - 417, View in Reaxys

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4 of 8

Description (UV/VIS Spectroscopy)

Absorption maxima

Absorption Maxima (UV/ 300 VIS) [nm] Ext./Abs. Coefficient [l·mol-1cm-1]

Wagner, Peter J.; Stratton, Thomas J.; Tetrahedron; vol. 37; nb. 19; (1981); p. 3317 - 3322, View in Reaxys 5 of 8

Description (UV/VIS Spectroscopy)

UV/VIS

Cookson; Hudec; Journal of the Chemical Society; (1962); p. 429,430, View in Reaxys 6 of 8

Description (UV/VIS Spectroscopy)

Absorption maxima

Woods,G.F.; Scotti,F.; Journal of Organic Chemistry; vol. 26; (1961); p. 312 - 318, View in Reaxys 7 of 8

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

ethanol

Wildman; Wildman; Journal of Organic Chemistry; vol. 17; (1952); p. 581,588, View in Reaxys; Alpen et al.; Journal of the American Chemical Society; vol. 72; (1950); p. 4558, View in Reaxys 8 of 8

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

hexane

Wildman; Wildman; Journal of Organic Chemistry; vol. 17; (1952); p. 581,588, View in Reaxys; Alpen et al.; Journal of the American Chemical Society; vol. 72; (1950); p. 4558, View in Reaxys Luminescence Spectroscopy (1) Description (LuReferences minescence Spectroscopy) Luminescence lifetime

Wagner; Spoerke; Journal of the American Chemical Society; vol. 91; (1969); p. 4437, View in Reaxys

Fluorescence Spectroscopy (1) Description (Fluo- Solvent (Fluoresrescence Speccence Spectrotroscopy) scopy)

Comment (Fluorescence Spectroscopy)

References

Maxima

386 nm

Wagner, Peter J.; Stratton, Thomas J.; Tetrahedron; vol. 37; nb. 19; (1981); p. 3317 - 3322, View in Reaxys

methylcyclohexane

Medchem (2) 1 of 2

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

1368883View in Reaxys

Substance Name

1444587

Qualitative Results

anti-bacterial activity

Measurement Parameter

Qualitative

Haroutounian; Georgiadis; Delitheos; Bailar Jr.; European Journal of Medicinal Chemistry; vol. 22; nb. 4; (1987); p. 325 - 329, View in Reaxys 2 of 2

Target Name

phenylacetone monooxygenase

Target Synonyms

baeyer-villiger monooxygenase (phenylacetone monooxygenase); bvmo; pamo; phenylacetone monooxygenase; phenylacetone,nadph:oxygen oxidoreductase; tfu_1490

Target, Subunit, Species phenylacetone monooxygenase

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Target Mutant/Chimera Details

phenylacetone monooxygenase:Mutated

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Specific activity of the compound towards Gln93Asn/Pro94Asp mutant Phenylacetone monooxygenase (1 uM) expressed in ESCHERICHIA COLI TOP 10 cells in presence of 100 uM NADPH upon incubation in 50 mM Tris-HCl, pH 8.0 for 1 hour at 60 degree C

Substance RN

1368883View in Reaxys

Measurement Parameter

Activity

Unit

U/mg

Qualitative value

Quantitative value

Concomitants: Compound name

NADPH

Concomitants: Compound role

COM

Reaxys ID 4672526 View in Reaxys

2/3 CAS Registry Number: 1444-65-1; 34281-93-1; 55700-93-1; 34281-94-2 Chemical Name: (2S)-2-phenyl-1-cyclohexanone; (−)-(S)-2phenylcyclohexanone; (-)-(2S)-2-phenyl-1-cyclohexanone; (-)(S)-2-phenylcyclohexanone; (2S)-2-phenylcyclohexan-1-one; (S)-(-)-2-phenylcyclohexanone; (-)-2-phenylcyclohexanone Linear Structure Formula: C12H14O Molecular Formula: C12H14O Molecular Weight: 174.243 Type of Substance: isocyclic InChI Key: DRLVMOAWNVOSPE-NSHDSACASA-N Note:

Substance Label (19) Label References 5

Maeda, Katsuhiro; Maruta, Miyuki; Sakai, Yuki; Ikai, Tomoyuki; Kanoh, Shigeyoshi; Molecules; vol. 21; nb. 11; (2016); Art.No: 1487, View in Reaxys

Das, Anjan; Ayad, Suliman; Hanson, Kenneth; Organic Letters; vol. 18; nb. 20; (2016); p. 5416 - 5419, View in Reaxys

18b

Murakami, Keiichi; Sasano, Yusuke; Tomizawa, Masaki; Shibuya, Masatoshi; Kwon, Eunsang; Iwabuchi, Yoshiharu; Journal of the American Chemical Society; vol. 136; nb. 50; (2014); p. 17591 - 17600, View in Reaxys

(-)-9; (2S)-9

Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Organic Letters; vol. 16; nb. 18; (2014); p. 4968 - 4968, View in Reaxys

22b

Shibuya, Masatoshi; Nagasawa, Shota; Osada, Yuji; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 79; nb. 21; (2014); p. 10256 - 10268, View in Reaxys

3bb

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys

7a; (S)-7a

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys

Patent; Okamoto, Yoshio; Yamamoto, Chiyo; Ikai, Tomoyuki; Kamigaito, Masami; US2009/124798; (2009); (A1) English, View in Reaxys

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(S)-1a

Hollmann, Frank; Taglieber, Andreas; Schulz, Frank; Reetz, Manfred T.; Angewandte Chemie - International Edition; vol. 46; nb. 16; (2007); p. 2903 - 2906, View in Reaxys

(S)-1g

Soorukram, Darunee; Knochel, Paul; Angewandte Chemie - International Edition; vol. 45; nb. 22; (2006); p. 3686 - 3689, View in Reaxys

(S)-1

Ishihara, Kazuaki; Yano, Takayuki; Organic Letters; vol. 6; nb. 12; (2004); p. 1983 - 1986, View in Reaxys

Kandula, SubbaRao V.; Puranik, Vedavati G.; Kumar, Pradeep; Tetrahedron Letters; vol. 44; nb. 27; (2003); p. 5015 - 5017, View in Reaxys

Ishihara, Kazuaki; Nakashima, Daisuke; Hiraiwa, Yukihiro; Yamamoto, Hisashi; Journal of the American Chemical Society; vol. 125; nb. 1; (2003); p. 24 - 25, View in Reaxys

(S)-4a

Nakamura, Shingo; Kaneeda, Masanobu; Ishihara, Kazuaki; Yamamoto, Hisashi; Journal of the American Chemical Society; vol. 122; nb. 34; (2000); p. 8120 - 8130, View in Reaxys; Asensio, Gregorio; Cuenca, Ana; Rodriguez, Nuria; Medio-Simon, Mercedes; Tetrahedron Asymmetry; vol. 14; nb. 24; (2003); p. 3851 - 3855, View in Reaxys

(-)-11b

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 124, View in Reaxys

2-enantiomer of 4

Chankvetadze, Bezhan; Yamamoto, Chiyo; Okamoto, Yoshio; Chemistry Letters; nb. 4; (2000); p. 352 353, View in Reaxys

(S)-4

Hayashi; Senda; Ogasawara; Journal of the American Chemical Society; vol. 122; nb. 43; (2000); p. 10716 - 10717, View in Reaxys

(-)-5

Asensio, Gregorio; Cuenca; Gavina; Medio-Simon, Mercedes; Tetrahedron Letters; vol. 40; nb. 20; (1999); p. 3939 - 3940, View in Reaxys

Druglikeness (1) 1 of 1

LogP

2.41

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

17.07

Lipinski Number

Veber Number

Melting Point (5) 1 of 5

Melting Point [°C]

58 - 60

Location

supporting information

Zhu, Chenjie; Zhang, Zhi; Ding, Weiwei; Xie, Jingjing; Chen, Yong; Wu, Jinglan; Chen, Xiaochun; Ying, Hanjie; Green Chemistry; vol. 16; nb. 3; (2014); p. 1131 - 1138, View in Reaxys 2 of 5

Melting Point [°C]

38 - 39

Location

supporting information

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys 3 of 5

Melting Point [°C]

56 - 59

Location

supporting information

Dohi, Toshifumi; Fukushima, Kei-Ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki; Green Chemistry; vol. 14; nb. 5; (2012); p. 1493 - 1501, View in Reaxys 4 of 5

Melting Point [°C]

39 - 40

Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys 5 of 5

Melting Point [°C]

45 - 51

Davies, Huw M. L.; Stafford, Douglas G.; Hansen, Tore; Organic Letters; vol. 1; nb. 2; (1999); p. 233 - 236, View in Reaxys Chromatographic Data (1)

26/43

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Chromatographic data

Location

References

HPLC (High performance liquid chromatography)

supporting information

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 17026, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys; Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys; Huang, Zhiyan; Lim, Li Hui; Chen, Zuliang; Li, Yongxin; Zhou, Feng; Su, Haibin; Zhou, Jianrong; Angewandte Chemie - International Edition; vol. 52; nb. 18; (2013); p. 4906 - 4911; Angew. Chem.; (2013); p. 5006 - 5011,6, View in Reaxys; Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Organic Letters; vol. 16; nb. 18; (2014); p. 4968 4968, View in Reaxys

Circular Dichroism (1) Location Comment (Circular Dichroism) supporting information

Circular dichroism Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaomgiven ing; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 17026,4, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 - 17026, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys

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

References

supporting information

colourless

References Zhu, Chenjie; Zhang, Zhi; Ding, Weiwei; Xie, Jingjing; Chen, Yong; Wu, Jinglan; Chen, Xiaochun; Ying, Hanjie; Green Chemistry; vol. 16; nb. 3; (2014); p. 1131 - 1138, View in Reaxys Shibuya, Masatoshi; Nagasawa, Shota; Osada, Yuji; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 79; nb. 21; (2014); p. 10256 - 10268, View in Reaxys

white

supporting information

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys; Huang, Zhiyan; Lim, Li Hui; Chen, Zuliang; Li, Yongxin; Zhou, Feng; Su, Haibin; Zhou, Jianrong; Angewandte Chemie - International Edition; vol. 52; nb. 18; (2013); p. 4906 - 4911; Angew. Chem.; (2013); p. 5006 - 5011,6, View in Reaxys

colourless

supporting information

Dohi, Toshifumi; Fukushima, Kei-Ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki; Green Chemistry; vol. 14; nb. 5; (2012); p. 1493 - 1501, View in Reaxys

white

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys

Optical Rotatory Power (11) 1 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.32 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-103.4

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

27/43

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2 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.32 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-103.4

Wavelength (Optical Ro- 589 tatory Power) [nm] Location

supporting information

Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Organic Letters; vol. 16; nb. 18; (2014); p. 4968 4968, View in Reaxys 3 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.96 g/100ml

Enantiomeric excess [%ee]

99.9

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-107.5

Wavelength (Optical Ro- 589 tatory Power) [nm] Location

supporting information

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys 4 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.7 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-91.3

Wavelength (Optical Ro- 589 tatory Power) [nm] Location

supporting information

Huang, Zhiyan; Lim, Li Hui; Chen, Zuliang; Li, Yongxin; Zhou, Feng; Su, Haibin; Zhou, Jianrong; Angewandte Chemie - International Edition; vol. 52; nb. 18; (2013); p. 4906 - 4911; Angew. Chem.; (2013); p. 5006 - 5011,6, View in Reaxys 5 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.48g/100ml

Enantiomeric excess [%ee]

28/43

2018-01-23 08:07:05

Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

-36

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.60 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-80.5

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.48 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

-36

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys 8 of 11

Type (Optical Rotatory Power)

[alpha]

29/43

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Concentration (Optical Rotatory Power)

10.5 g/100ml

Length of Path [cm]

Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

-110.8

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys 9 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1 g/100ml

Enantiomeric excess [%ee]

Length of Path [cm]

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

-92.6

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

23.4

Location

supporting information

Beck, Elizabeth M.; Hyde, Alan M.; Jacobsen, Eric N.; Organic Letters; vol. 13; nb. 16; (2011); p. 4260 - 4263, View in Reaxys 10 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.30 g/100ml

Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

-109.8

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys 11 of 11

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

1.66 g/100ml

Solvent (Optical Rotatory Power)

benzene

30/43

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Optical Rotatory Power [deg]

-17

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Davies, Huw M. L.; Stafford, Douglas G.; Hansen, Tore; Organic Letters; vol. 1; nb. 2; (1999); p. 233 - 236, View in Reaxys NMR Spectroscopy (16) 1 of 16

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

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 - 17026,4, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 - 17026, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys; Huang, Zhiyan; Lim, Li Hui; Chen, Zuliang; Li, Yongxin; Zhou, Feng; Su, Haibin; Zhou, Jianrong; Angewandte Chemie - International Edition; vol. 52; nb. 18; (2013); p. 4906 - 4911; Angew. Chem.; (2013); p. 5006 - 5011,6, View in Reaxys; Zhu, Chenjie; Zhang, Zhi; Ding, Weiwei; Xie, Jingjing; Chen, Yong; Wu, Jinglan; Chen, Xiaochun; Ying, Hanjie; Green Chemistry; vol. 16; nb. 3; (2014); p. 1131 - 1138, View in Reaxys; Shibuya, Masatoshi; Nagasawa, Shota; Osada, Yuji; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 79; nb. 21; (2014); p. 10256 - 10268, View in Reaxys 2 of 16

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

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

400

Location

supporting information

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 - 17026, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys; Huang, Zhiyan; Lim, Li Hui; Chen, Zuliang; Li, Yongxin; Zhou, Feng; Su, Haibin; Zhou, Jianrong; Angewandte Chemie - International Edition; vol. 52; nb. 18; (2013); p. 4906 4911; Angew. Chem.; (2013); p. 5006 - 5011,6, View in Reaxys; Shibuya, Masatoshi; Nagasawa, Shota; Osada, Yuji; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 79; nb. 21; (2014); p. 10256 - 10268, View in Reaxys 3 of 16

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

31/43

2018-01-23 08:07:05

Zhu, Chenjie; Zhang, Zhi; Ding, Weiwei; Xie, Jingjing; Chen, Yong; Wu, Jinglan; Chen, Xiaochun; Ying, Hanjie; Green Chemistry; vol. 16; nb. 3; (2014); p. 1131 - 1138, View in Reaxys 4 of 16

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

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

300

Location

supporting information

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys 5 of 16

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

13C

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

Location

supporting information

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys 6 of 16

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

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

400

Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys; Beck, Elizabeth M.; Hyde, Alan M.; Jacobsen, Eric N.; Organic Letters; vol. 13; nb. 16; (2011); p. 4260 - 4263, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 - 17026,4, View in Reaxys 7 of 16

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

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

400

Location

supporting information

Dohi, Toshifumi; Fukushima, Kei-Ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki; Green Chemistry; vol. 14; nb. 5; (2012); p. 1493 - 1501, View in Reaxys 8 of 16

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy)

32/43

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Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Dohi, Toshifumi; Fukushima, Kei-Ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki; Green Chemistry; vol. 14; nb. 5; (2012); p. 1493 - 1501, View in Reaxys 9 of 16

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys 10 of 16

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

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

300

Location

supporting information

Cheon, Cheol Hong; Kanno, Osamu; Toste, F. Dean; Journal of the American Chemical Society; vol. 133; nb. 34; (2011); p. 13248 - 13251, View in Reaxys 11 of 16

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

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

500

Location

supporting information

Cheon, Cheol Hong; Imahori, Tatsushi; Yamamoto, Hisashi; Chemical Communications; vol. 46; nb. 37; (2010); p. 6980 - 6982, View in Reaxys 12 of 16

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

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

500

Location

supporting information

Cheol, Hong Cheon; Yamamoto, Hisashi; Journal of the American Chemical Society; vol. 130; nb. 29; (2008); p. 9246 - 9247, View in Reaxys 13 of 16

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- CDCl3 scopy)

33/43

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Frequency (NMR Spectroscopy) [MHz]

300

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys 14 of 16

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

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

300

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys; Davies, Huw M. L.; Stafford, Douglas G.; Hansen, Tore; Organic Letters; vol. 1; nb. 2; (1999); p. 233 - 236, View in Reaxys 15 of 16

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

13C

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

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

Solvents (NMR Spectro- CDCl3 scopy) Murakata, Masatoshi; Imai, Megumi; Tamura, Masafumi; Hoshino, Osamu; Tetrahedron: Asymmetry; vol. 5; nb. 10; (1994); p. 2019 - 2024, View in Reaxys IR Spectroscopy (6) 1 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat liquid

Shibuya, Masatoshi; Nagasawa, Shota; Osada, Yuji; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 79; nb. 21; (2014); p. 10256 - 10268, View in Reaxys 2 of 6

Description (IR Spectroscopy)

Bands

Location

supporting information

Comment (IR Spectroscopy)

film

Zhu, Yingguang; Zhao, Baoguo; Shi, Yian; Organic Letters; vol. 15; nb. 5; (2013); p. 992 - 995, View in Reaxys 3 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Location

supporting information

34/43

2018-01-23 08:07:05

Dohi, Toshifumi; Fukushima, Kei-Ichiro; Kamitanaka, Tohru; Morimoto, Koji; Takenaga, Naoko; Kita, Yasuyuki; Green Chemistry; vol. 14; nb. 5; (2012); p. 1493 - 1501, View in Reaxys 4 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys 5 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid

Davies, Huw M. L.; Stafford, Douglas G.; Hansen, Tore; Organic Letters; vol. 1; nb. 2; (1999); p. 233 - 236, View in Reaxys 6 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

1750 - 1455 cm**(-1)

Murakata, Masatoshi; Imai, Megumi; Tamura, Masafumi; Hoshino, Osamu; Tetrahedron: Asymmetry; vol. 5; nb. 10; (1994); p. 2019 - 2024, View in Reaxys Mass Spectrometry (3) Description (Mass Location Spectrometry)

References

high resolution mass spectrometry (HRMS); electron impact (EI); time-of-flight mass spectra (TOFMS); spectrum

Shibuya, Masatoshi; Nagasawa, Shota; Osada, Yuji; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 79; nb. 21; (2014); p. 10256 - 10268, View in Reaxys

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

HRMS (High resolution mass spectrometry); CI (Chemical ionization); Spectrum

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys

supporting information

Reaxys ID 6056505 View in Reaxys

3/3 CAS Registry Number: 34281-93-1 Chemical Name: (R)-2-phenylcyclohexanone; (R)-(-)-2-phenylcyclohexanone; 2-phenyl-cyclohexan-1-one; 2-phenyl-1-cyclohexanone; 2-phenyl-cyclohexanone; 2-phenylcyclohexanone Linear Structure Formula: C12H14O Molecular Formula: C12H14O Molecular Weight: 174.243 Type of Substance: isocyclic InChI Key: DRLVMOAWNVOSPE-LLVKDONJSA-N Note:

Substance Label (17)

35/43

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Label

References

Maeda, Katsuhiro; Maruta, Miyuki; Sakai, Yuki; Ikai, Tomoyuki; Kanoh, Shigeyoshi; Molecules; vol. 21; nb. 11; (2016); Art.No: 1487, View in Reaxys

Das, Anjan; Ayad, Suliman; Hanson, Kenneth; Organic Letters; vol. 18; nb. 20; (2016); p. 5416 - 5419, View in Reaxys

Sasano, Yusuke; Kogure, Naoki; Nishiyama, Tomohiro; Nagasawa, Shota; Iwabuchi, Yoshiharu; Chemistry - An Asian Journal; vol. 10; nb. 4; (2015); p. 1004 - 1009, View in Reaxys

9; (2R)-9

Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Organic Letters; vol. 16; nb. 18; (2014); p. 4968 - 4968, View in Reaxys

(R)-15b

Warner, Madeleine C.; Nagendiran, Anuja; Bogár, Krisztián; Bäckvall, Jan-E.; Organic Letters; vol. 14; nb. 19; (2012); p. 5094 - 5097, View in Reaxys

Patent; Okamoto, Yoshio; Yamamoto, Chiyo; Ikai, Tomoyuki; Kamigaito, Masami; US2009/124798; (2009); (A1) English, View in Reaxys

(R)-11

Dong, Lin; Xu, Yan-Jun; Yuan, Wei-Cheng; Cui, Xin; Cun, Lin-Feng; Gong, Liu-Zhu; European Journal of Organic Chemistry; nb. 18; (2006); p. 4093 - 4105, View in Reaxys

product, tab 3/5

Shibuya, Masatoshi; Tomizawa, Masaki; Suzuki, Iwao; Iwabuchi, Yoshiharu; Journal of the American Chemical Society; vol. 128; nb. 26; (2006); p. 8412 - 8413, View in Reaxys

(R)-1g

Soorukram, Darunee; Knochel, Paul; Angewandte Chemie - International Edition; vol. 45; nb. 22; (2006); p. 3686 - 3689, View in Reaxys

(R)-2a''

Dong, Lin; Xu, Yan-Jun; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu; Organic Letters; vol. 7; nb. 19; (2005); p. 4285 - 4288, View in Reaxys

(R)-1

Ishihara, Kazuaki; Yano, Takayuki; Organic Letters; vol. 6; nb. 12; (2004); p. 1983 - 1986, View in Reaxys

12n

Matsuo, Jun-Ichi; Iida, Daisuke; Yamanaka, Hiroyuki; Mukaiyama, Teruaki; Tetrahedron; vol. 59; nb. 35; (2003); p. 6739 - 6750, View in Reaxys

(+)-11a

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 124, View in Reaxys

1-enantiomer of 4

Chankvetadze, Bezhan; Yamamoto, Chiyo; Okamoto, Yoshio; Chemistry Letters; nb. 4; (2000); p. 352 353, View in Reaxys

(R)-4a

Nakamura, Shingo; Kaneeda, Masanobu; Ishihara, Kazuaki; Yamamoto, Hisashi; Journal of the American Chemical Society; vol. 122; nb. 34; (2000); p. 8120 - 8130, View in Reaxys

1'a

Nakamura, Yutaka; Takeuchi, Seiji; Ohgo, Yoshiaki; Yamaoka, Makoto; Yoshida, Akihiro; Mikami, Koichi; Tetrahedron; vol. 55; nb. 15; (1999); p. 4595 - 4620, View in Reaxys

Druglikeness (1) 1 of 1

LogP

2.41

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

17.07

Lipinski Number

Veber Number

Melting Point (2) 1 of 2

Melting Point [°C]

38 - 40

Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys 2 of 2

Melting Point [°C]

48 - 51

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys

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Chromatographic Data (1) Chromatographic Location data HPLC (High performance liquid chromatography)

supporting information

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

supporting information

References Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 41; (2012); p. 17023 17026, View in Reaxys; Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys; Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu; Organic Letters; vol. 16; nb. 18; (2014); p. 4968 - 4968, View in Reaxys References Shibuya, Masatoshi; Tomizawa, Masaki; Sasano, Yusuke; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 74; nb. 12; (2009); p. 4619 - 4622, View in Reaxys; Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys; Cheon, Cheol Hong; Kanno, Osamu; Toste, F. Dean; Journal of the American Chemical Society; vol. 133; nb. 34; (2011); p. 13248 - 13251, View in Reaxys

Optical Rotatory Power (4) 1 of 4

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

10.5 g/100ml

Length of Path [cm]

Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

108.2

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys 2 of 4

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.45 g/100ml

Enantiomeric excess [%ee]

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

102

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Location

supporting information

Cheon, Cheol Hong; Kanno, Osamu; Toste, F. Dean; Journal of the American Chemical Society; vol. 133; nb. 34; (2011); p. 13248 - 13251, View in Reaxys 3 of 4

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.75 g/100ml

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Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Dong, Lin; Xu, Yan-Jun; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu; Organic Letters; vol. 7; nb. 19; (2005); p. 4285 - 4288, View in Reaxys; Dong, Lin; Xu, Yan-Jun; Yuan, Wei-Cheng; Cui, Xin; Cun, Lin-Feng; Gong, Liu-Zhu; European Journal of Organic Chemistry; nb. 18; (2006); p. 4093 - 4105, View in Reaxys 4 of 4

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.20 g/100ml

Solvent (Optical Rotatory Power)

benzene

Optical Rotatory Power [deg]

108.7

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys NMR Spectroscopy (19) 1 of 19

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

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

400

Location

supporting information

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

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

400

Original Text (NMR Spectroscopy)

1H-NMR (400 MHz, CDCl3): Оґ 7.35-7.13 (m, 5H), 3.61 (dd, J=12.1, 5.3 Hz, 1H), 2.53-2.45 (m, 2H), 2.30-2.25 (m, 1H), 2.17-2.15 (m, 1H), 2.06-1.99 (m, 2H), 1.86-1.80 (m, 2H).

Location

Paragraph 0072

Patent; Tohoku University; IWABUCHI Yoshiharu; HAYASHI Masaki; EP2594550; (2013); (A1) English, View in Reaxys

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3 of 19

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

13C

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

100

Original Text (NMR Spectroscopy)

13C-NMR (100 MHz, CDCl3): Оґ 210.2, 138.7, 128.5, 128.3, 126.8, 57.3, 42.1, 35.0, 27.8, 25.3.

Location

Paragraph 0072

Patent; Tohoku University; IWABUCHI Yoshiharu; HAYASHI Masaki; EP2594550; (2013); (A1) English, View in Reaxys 4 of 19

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

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

400

Location

supporting information

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

13C

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

100

Location

supporting information

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

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

27.04

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Warner, Madeleine C.; Nagendiran, Anuja; Bogár, Krisztián; Bäckvall, Jan-E.; Organic Letters; vol. 14; nb. 19; (2012); p. 5094 - 5097, View in Reaxys

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7 of 19

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

13C

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

24.84

Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Warner, Madeleine C.; Nagendiran, Anuja; Bogár, Krisztián; Bäckvall, Jan-E.; Organic Letters; vol. 14; nb. 19; (2012); p. 5094 - 5097, View in Reaxys 8 of 19

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

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

400

Location

supporting information

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys 9 of 19

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

13C

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

100

Location

supporting information

Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Hu, Xiaolei; Lin, Lili; Feng, Xiaoming; Journal of the American Chemical Society; vol. 134; nb. 49; (2012); p. 20208 - 20208, View in Reaxys 10 of 19

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Location

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys 11 of 19

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

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

300

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Location

supporting information

Cheon, Cheol Hong; Kanno, Osamu; Toste, F. Dean; Journal of the American Chemical Society; vol. 133; nb. 34; (2011); p. 13248 - 13251, View in Reaxys 12 of 19

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

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

500

Location

supporting information

Cheol, Hong Cheon; Yamamoto, Hisashi; Journal of the American Chemical Society; vol. 130; nb. 29; (2008); p. 9246 - 9247, View in Reaxys; Cheon, Cheol Hong; Imahori, Tatsushi; Yamamoto, Hisashi; Chemical Communications; vol. 46; nb. 37; (2010); p. 6980 - 6982, View in Reaxys 13 of 19

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

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

26.4

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Shibuya, Masatoshi; Tomizawa, Masaki; Sasano, Yusuke; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 74; nb. 12; (2009); p. 4619 - 4622, View in Reaxys 14 of 19

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

13C

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

28.1

Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Shibuya, Masatoshi; Tomizawa, Masaki; Sasano, Yusuke; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 74; nb. 12; (2009); p. 4619 - 4622, View in Reaxys 15 of 19

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

13C

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

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys; Soorukram, Darunee; Knochel, Paul; Angewandte Chemie - International Edition; vol. 45; nb. 22; (2006); p. 3686 - 3689, View in Reaxys

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16 of 19

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

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

300

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

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

300

Comment (NMR Spectroscopy)

ambient temperature

Ishihara, Kazuaki; Yano, Takayuki; Organic Letters; vol. 6; nb. 12; (2004); p. 1983 - 1986, View in Reaxys 18 of 19

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

300

Comment (NMR Spectroscopy)

ambient temperature

Ishihara, Kazuaki; Yano, Takayuki; Organic Letters; vol. 6; nb. 12; (2004); p. 1983 - 1986, View in Reaxys 19 of 19

Nucleus (NMR Spectroscopy)

Coupling Nuclei

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

300

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys IR Spectroscopy (4) 1 of 4

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

chloroform

Original Text (IR Spectroscopy)

IR (CHCl3, cm-1): 1700.

Location

Paragraph 0072

Patent; Tohoku University; IWABUCHI Yoshiharu; HAYASHI Masaki; EP2594550; (2013); (A1) English, View in Reaxys

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2 of 4

Description (IR Spectroscopy)

Mid IR (MIR); Bands

Location

supporting information

Comment (IR Spectroscopy)

neat (no solvent, solid phase)

Shibuya, Masatoshi; Tomizawa, Masaki; Sasano, Yusuke; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 74; nb. 12; (2009); p. 4619 - 4622, View in Reaxys 3 of 4

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

film

Soorukram, Darunee; Knochel, Paul; Angewandte Chemie - International Edition; vol. 45; nb. 22; (2006); p. 3686 3689, View in Reaxys 4 of 4

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Bui; Hansen; Stenstrom; Hudlicky; Ribbons; New Journal of Chemistry; vol. 25; nb. 1; (2001); p. 116 - 124, View in Reaxys Mass Spectrometry (7) Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

References

electron impact (EI); spectrum

Paragraph 0072

Patent; Tohoku University; IWABUCHI Yoshiharu; HAYASHI Masaki; EP2594550; (2013); (A1) English, View in Reaxys

electron impact (EI); high resolution mass spectrometry (HRMS); spectrum

Paragraph 0072

Patent; Tohoku University; IWABUCHI Yoshiharu; HAYASHI Masaki; EP2594550; (2013); (A1) English, View in Reaxys

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

supporting information

Warner, Madeleine C.; Nagendiran, Anuja; Bogár, Krisztián; Bäckvall, Jan-E.; Organic Letters; vol. 14; nb. 19; (2012); p. 5094 5097, View in Reaxys

HRMS (High resolution mass spectrometry); CI (Chemical ionization); Spectrum

supporting information

Leung, Diana; Anslyn, Eric V.; Organic Letters; vol. 13; nb. 9; (2011); p. 2298 - 2301, View in Reaxys

HRMS (High resolution mass spectrometry)

supporting information

mol peak

Shibuya, Masatoshi; Tomizawa, Masaki; Sasano, Yusuke; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 74; nb. 12; (2009); p. 4619 - 4622, View in Reaxys

Spectrum

supporting information

mol peak

Shibuya, Masatoshi; Tomizawa, Masaki; Sasano, Yusuke; Iwabuchi, Yoshiharu; Journal of Organic Chemistry; vol. 74; nb. 12; (2009); p. 4619 - 4622, View in Reaxys

spectrum; electron impact (EI)

Soorukram, Darunee; Knochel, Paul; Angewandte Chemie - International Edition; vol. 45; nb. 22; (2006); p. 3686 - 3689, View in Reaxys

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