Cyclopentanecarboxylic acid [C6H10O2] by Asch

Query Query HO

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36 substances in Reaxys

2018-01-21 17h:51m:08s (EST)

1 substances in Reaxys

2018-01-21 17h:51m:34s (EST)

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2018-01-21 17:52:38

Reaxys ID 2039729 View in Reaxys

1/1 CAS Registry Number: 3400-45-1 Chemical Name: cyclopentanecarboxylic acid; cyclopentyl-2carboxylic acid; cyclopentane carboxylic acid; cyclopentylcarboxylic acid; cyclopentacarboxylic acid; cyclopentylformic acid; cyclopentanoic acid Linear Structure Formula: HOOCC5H9 Molecular Formula: C6H10O2 Molecular Weight: 114.144 Type of Substance: isocyclic InChI Key: JBDSSBMEKXHSJF-UHFFFAOYSA-N Note:

Substance Label (61) Label References 2b

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Jain, Rahul; Singh, Jatinder; Perlman, Jeffery H; Gershengorn, Marvin C; Bioorganic and Medicinal Chemistry; vol. 10; nb. 1; (2002); p. 189 - 194, View in Reaxys; Xia, Xiao-Feng; Zhu, Su-Li; Chen, Chao; Wang, Haijun; Liang, Yong-Min; Journal of Organic Chemistry; vol. 81; nb. 3; (2016); p. 1277 - 1284, View in Reaxys; Zhu, Yuchao; Wen, Xiaojin; Song, Song; Jiao, Ning; ACS Catalysis; vol. 6; nb. 10; (2016); p. 6465 - 6472, View in Reaxys; Lv, Leiyang; Li, Zhiping; Journal of Organic Chemistry; vol. 82; nb. 5; (2017); p. 2689 - 2702, View in Reaxys; Li, Chun-Xiao; Zhang, Hao-Yun; Wong, Tsz-Yung; Cao, Hou-Ji; Yan, Hong; Lu, Chang-Sheng; Organic Letters; vol. 19; nb. 19; (2017); p. 5178 - 5181, View in Reaxys; Tang, Zhi; Jiang, Qiutao; Peng, Lifen; Xu, Xinhua; Li, Jie; Qiu, Renhua; Au, Chak-Tong; Green Chemistry; vol. 19; nb. 22; (2017); p. 5396 - 5402, View in Reaxys

Nimmagadda, Rama D.; McRae, Christopher; Tetrahedron Letters; vol. 47; nb. 21; (2006); p. 3505 - 3508, View in Reaxys; Patent; X-RX DISCOVERY, INC.; CHEN, Xiangyang; GAO, Yingxiang; LIU, Chong; NI, Haihong; MULVIHILL, Mark; WO2015/48662; (2015); (A2) English, View in Reaxys; Zhou, Quan-Quan; Guo, Wei; Ding, Wei; Wu, Xiong; Chen, Xi; Lu, Liang-Qiu; Xiao, Wen-Jing; Angewandte Chemie - International Edition; vol. 54; nb. 38; (2015); p. 11196 - 11199; Angew. Chem.; vol. 127; (2015); p. 11348 11351,4, View in Reaxys; Patent; GENENTECH, INC.; DRAGOVICH, Peter; PEI, Zhonghua; PILLOW, Thomas; SADOWSKY, Jack; CHEN, Jinhua; WAI, John; (237 pag.); WO2017/64675; (2017); (A1) English, View in Reaxys

11-2

Patent; Shandong University, Weihai; Sun, Dequn; Yang, Yue; Yang, Chunhua; Luo, Min; Zhang, Lingzi; Sun, Li; Zhang, Wenlong; Gou, Zhaopin; Wang, Jin; Hu, Changyan; (12 pag.); CN104844606; (2017); (B) Chinese, View in Reaxys

A-1

Patent; MERCK SHARP and DOHME CORP.; MSD RandD (CHINA) CO., LTD.; ACTON, John J.; BAO, Jianming; EGBERTSON, Melissa; GAO, Xiaolei; HARRISON, Scott Timothy; KNOWLES, Sandra Lee; LI, Chunsing; LO, Michael Man-Chu; MAZZOLA, Robert D., Jr.; MENG, Zhaoyang; RUDD, Michael T.; SELYUTIN, Oleg; TELLERS, David M.; TONG, Ling; WAI, Jenny Miu-Chun; (125 pag.); WO2017/107089; (2017); (A1) English, View in Reaxys

I-1-c

Patent; Sumitomo Chemical Corporation; Masuyama, Tatsuro; Mukai, Yuichi; Ichikawa, Koji; (87 pag.); JP2017/119678; (2017); (A) Japanese, View in Reaxys

2.3e

Lo, Kai-Yip; Ye, Liu; Yang, Dan; Synlett; vol. 28; nb. 13; (2017); p. 1570 - 1575, View in Reaxys

Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben; Journal of the American Chemical Society; vol. 139; nb. 35; (2017); p. 12161 - 12164, View in Reaxys

14a

Hu, Jiadong; Yu, Xin; Xie, Weiqing; Synlett; vol. 28; nb. 19; (2017); p. 2517 - 2524, View in Reaxys

I-4-a

Patent; SUMITOMO CHEMICAL COMPANY, LIMITED; MASUYAMA, Tatsuro; YAMAMOTO, Satoshi; ICHIKAWA, Koji; (78 pag.); US2016/52861; (2016); (A1) English, View in Reaxys

Wu, Hongxiang; Xu, Baiping; Li, Yue; Hong, Fengying; Zhu, Dezhao; Jian, Junsheng; Pu, Xiaoer; Zeng, Zhuo; Journal of Organic Chemistry; vol. 81; nb. 7; (2016); p. 2987 - 2992, View in Reaxys

for 8n

Lukin, Alexey; Vedekhina, Tatiana; Tovpeko, Dmitry; Zhurilo, Nikolay; Krasavin, Mikhail; RSC Advances; vol. 6; nb. 63; (2016); p. 57956 - 57959, View in Reaxys

Fujihara, Tetsuaki; Yoshida, Atsushi; Satou, Motoi; Tanji, Yutaka; Terao, Jun; Tsuji, Yasushi; Catalysis Communications; vol. 84; (2016); p. 71 - 74, View in Reaxys

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Ashok, Abhishek; Thanukrishnan, Kannan; Naik, Halehatty S. Bhojya; Ghosh, Soma; Asian Journal of Chemistry; vol. 28; nb. 10; (2016); p. 2122 - 2130, View in Reaxys

SM1

Patent; Nanjing Yaojie Ankang Biological Technology Co., Ltd.; Li, Jin; Wang, Lin; Yang, Minmin; (15 pag.); CN105541863; (2016); (A) Chinese, View in Reaxys

Russell, Stephanie; Rahmani, Raphaël; Jones, Amy J.; Newson, Harriet L.; Neilde, Kevin; Cotillo, Ignacio; Rahmani Khajouei, Marzieh; Ferrins, Lori; Qureishi, Sana; Nguyen, Nghi; Martinez-Martinez, Maria S.; Weaver, Donald F.; Kaiser, Marcel; Riley, Jennifer; Thomas, John; De Rycker, Manu; Read, Kevin D.; Flematti, Gavin R.; Ryan, Eileen; Tanghe, Scott; Rodriguez, Ana; Charman, Susan A.; Kessler, Albane; Avery, Vicky M.; Baell, Jonathan B.; Piggott, Matthew J.; Journal of Medicinal Chemistry; vol. 59; nb. 21; (2016); p. 9686 - 9720, View in Reaxys

Patent; THIRD MILITARY MEDICAL UNIVERSITY OF PLA; WEI, YE; LIANG, HONGWEN; (22 pag.); CN104650033; (2016); (B) Chinese, View in Reaxys

Raghuvanshi, Keshav; Rauch, Karsten; Ackermann, Lutz; Chemistry - A European Journal; vol. 21; nb. 4; (2015); p. 1790 - 1794, View in Reaxys

Giustiniano, Mariateresa; Meneghetti, Fiorella; Mercalli, Valentina; Varese, Monica; Giustiniano, Francesco; Novellino, Ettore; Cesare Tron, Gian; Organic Letters; vol. 16; nb. 20; (2014); p. 5332 - 5335, View in Reaxys; Cheng, Wei-Chieh; Guo, Chih-Wei; Lin, Cheng-Kun; Jiang, Yu-Ruei; Israel Journal of Chemistry; vol. 55; nb. 3-4; (2015); p. 403 - 411, View in Reaxys

Tam, Eric Kwok Wai; Rita; Liu, Lionel Yiqian; Chen, Anqi; European Journal of Organic Chemistry; vol. 2015; nb. 5; (2015); p. 1100 - 1107, View in Reaxys

Gao, Rong; Fan, Rong; Canney, Daniel J.; Synlett; vol. 26; nb. 5; (2015); p. 661 - 665; Art.No: ST-2014R0818, View in Reaxys

Li, Zhen; Li, Xin; Ni, Xiang; Cheng, Jin-Pei; Organic Letters; vol. 17; nb. 5; (2015); p. 1196 - 1199, View in Reaxys

Wen, Chunxiao; Chen, Qian; He, Zhenwen; Yan, Xinxing; Zhang, Changyuan; Du, Zhiyun; Zhang, Kun; Tetrahedron Letters; vol. 56; nb. 40; (2015); p. 5470 - 5473, View in Reaxys

Cui, Xinjiang; Li, Yuehui; Topf, Christoph; Junge, Kathrin; Beller, Matthias; Angewandte Chemie - International Edition; vol. 54; nb. 36; (2015); p. 10596 - 10599; Angew. Chem.; vol. 127; (2015); p. 10742 10745,4, View in Reaxys

28C

Natarajan, Palani; Chaudhary, Renu; Venugopalan, Paloth; Journal of Organic Chemistry; vol. 80; nb. 21; (2015); p. 10498 - 10504, View in Reaxys

Wang, Yang; Ren, Wenlong; Shi, Yian; Organic and Biomolecular Chemistry; vol. 13; nb. 31; (2015); p. 8416 - 8419, View in Reaxys

Le Vaillant, Franck; Courant, Thibaut; Waser, Jerome; Angewandte Chemie - International Edition; vol. 54; nb. 38; (2015); p. 11200 - 11204; Angew. Chem.; vol. 127; (2015); p. 11352 - 11356,5, View in Reaxys

Bai, Jianfei; Zambron, Bartosz K.; Vogel, Pierre; Organic Letters; vol. 16; nb. 2; (2014); p. 604 - 607, View in Reaxys

25a

Patent; MERCK SHARP and DOHME CORP.; YU, Wensheng; TONG, Ling; KOZLOWSKI, Joseph, A.; SELYUTIN, Oleg; CHEN, Lei; KIM, Jae-Hun; SHA, Deyou; RIZVI, Razia; SHANKAR, Bandarpalle; HU, Bin; ZHONG, Bin; WAI, Dahai; HAO, Jinglai; WEI, Wei; JI, Tao; ZAN, Shuai; WO2014/110687; (2014); (A1) English, View in Reaxys; Patent; MERCK SHARP and DOHME CORP.; YU, Wensheng; TONG, Ling; KOZLOWSKI, Joseph A.; SELYUTIN, Oleg; CHEN, Lei; KIM, Jae-Hun; SHA, Deyou; RIZVI, Razia; SHANKAR, Bandarpalle; HU, Bin; ZHONG, Bin; WAI, Dahai; HAO, Jinglai; WEI, Wei; JI, Tao; ZAN, Shuai; WO2014/110705; (2014); (A1) English, View in Reaxys

Poras, Hervé; Bonnard, Elisabeth; Dangé, Emilie; Fournié-Zaluski, Marie-Claude; Roques, Bernard P.; Journal of Medicinal Chemistry; vol. 57; nb. 13; (2014); p. 5748 - 5763, View in Reaxys

2o; Table 2, entry 15

Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian; Organic Letters; vol. 16; nb. 22; (2014); p. 5960 - 5963, View in Reaxys

Patent; JANSSEN RandD IRELAND; BONFANTI, Jean-François; DOUBLET, Frédéric Marc Maurice; EMBRECHTS, Werner; FORTIN, Jérôme Michel Claude; MC GOWAN, David Craig; MULLER, Philippe; RABOISSON, Pierre Jean-Marie Bernard; WO2013/68438; (2013); (A1) English, View in Reaxys

Zambron, Bartosz K.; Dubbaka, Srinivas R.; Markovic, Dean; Moreno-Clavijo, Elena; Vogel, Pierre; Organic Letters; vol. 15; nb. 10; (2013); p. 2550 - 2553, View in Reaxys

6-Fa

Cheng, Ting-Jen R.; Chan, Ting-Hao; Tsou, En-Lun; Chang, Shang-Yu; Yun, Wen-Yi; Yang, Pei-Jung; Wu, Ying-Ta; Cheng, Wei-Chieh; Chemistry - An Asian Journal; vol. 8; nb. 11; (2013); p. 2600 - 2604, View in Reaxys

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A-9

Liu, Xuesong; Wang, Zhentao; Cheng, Xiaomin; Li, Chaozhong; Journal of the American Chemical Society; vol. 134; nb. 35; (2012); p. 14330 - 14333, View in Reaxys

Sutter, Marc; Dayoub, Wissam; Metay, Estelle; Raoul, Yann; Lemaire, Marc; ChemSusChem; vol. 5; nb. 12; (2012); p. 2397 - 2409, View in Reaxys

acid educt of 9c

Cabeza, Marisa; Bratoeff, Eugene; Ramirez, Elena; Heuze, Ivonne; Recillas, Sergio; Berrios, Hilda; Cruz, Angel; Cabrera, Olmo; Perez, Victor; Steroids; vol. 73; nb. 8; (2008); p. 838 - 843, View in Reaxys

Radi, Marco; Adema, Auke D.; Daft, Jonathan R.; Cho, Jong H.; Hoebe, Eveline K.; Alexander, Lou-Ella M. M.; Peters, Godefridus J.; Chu, Chung K.; Journal of Medicinal Chemistry; vol. 50; nb. 9; (2007); p. 2249 - 2253, View in Reaxys

Shen, Lan; Zhang, Yan; Wang, Aihua; Sieber-McMaster, Ellen; Chen, Xiaoli; Pelton, Patricia; Xu, Jun Z.; Yang, Maria; Zhu, Peifang; Zhou, Lubing; Reuman, Michael; Hu, Zhiyong; Russell, Ronald; Gibbs, Alan C.; Ross, Hamish; Demarest, Keith; Murray, William V.; Kuo, Gee-Hong; Journal of Medicinal Chemistry; vol. 50; nb. 16; (2007); p. 3954 - 3963, View in Reaxys

start to 5c

Storey, John M.D.; Ladwa, Mitesh M.; Tetrahedron Letters; vol. 47; nb. 3; (2006); p. 381 - 383, View in Reaxys

You, Zhengqing; Lee, Henry; Nucleosides, Nucleotides and Nucleic Acids; vol. 25; nb. 1; (2006); p. 37 - 54, View in Reaxys

6(2)

Zajdel, Pawel; Subra, Gilles; Bojarski, Andrzej J.; Duszynska, Beata; Pawlowski, Maciej; Martinez, Jean; Bioorganic and Medicinal Chemistry Letters; vol. 16; nb. 13; (2006); p. 3406 - 3410, View in Reaxys

Mihovilovic, Marko D.; Fischer, Thomas C. M.; Stanetty, Peter; Molecules; vol. 11; nb. 5; (2006); p. 357 364, View in Reaxys

table 5

Hu, Yiding; Floss, Heinz G.; Heterocycles; vol. 69; nb. 1; (2006); p. 133 - 149, View in Reaxys

Heuser, Stefan; Keenan, Martine; Weichert, Andreas G.; Tetrahedron Letters; vol. 46; nb. 52; (2005); p. 9001 - 9004, View in Reaxys

Chern, Ching-Yuh; Chen, Shinn-Jyh; Kan, Wai-Ming; Journal of the Chinese Chemical Society; vol. 52; nb. 2; (2005); p. 331 - 338, View in Reaxys

entry 3, Table 2

White, Jonathan M.; Tunoori, Ashok Rao; Turunen, Brandon J.; Georg, Gunda I.; Journal of Organic Chemistry; vol. 69; nb. 7; (2004); p. 2573 - 2576, View in Reaxys

Potaczek; Giurg; Kloc; Maliszewska; Piasecki; Pietka; Mlochowski; Polish Journal of Chemistry; vol. 78; nb. 5; (2004); p. 687 - 697, View in Reaxys

substrate to 2e, 2f Gupta, Preeti; Hameed, Shahul; Jain, Rahul; European Journal of Medicinal Chemistry; vol. 39; nb. 9; (2004); p. 805 - 814, View in Reaxys 4

Six, Yvan; European Journal of Organic Chemistry; nb. 7; (2003); p. 1157 - 1171, View in Reaxys

HO2C-C5H9

Acharya, Achyuta N; Ostresh, John M; Houghten, Richard A; Tetrahedron Letters; vol. 43; nb. 7; (2002); p. 1157 - 1160, View in Reaxys

Tani, Kousuke; Naganawa, Atsushi; Ishida, Akiharu; Sagawa, Kenji; Harada, Hiroyuki; Ogawa, Mikio; Maruyama, Takayuki; Ohuchida, Shuichi; Nakai, Hisao; Kondo, Kigen; Toda, Masaaki; Bioorganic and Medicinal Chemistry; vol. 10; nb. 4; (2002); p. 1093 - 1106, View in Reaxys

Krasutsky, Pavel A.; Kolomitsyn, Igor V.; Botov, Evgenij M.; Carlson, Robert M.; Semenova, Irina G.; Fokin, Andrey A.; Tetrahedron Letters; vol. 43; nb. 48; (2002); p. 8687 - 8691, View in Reaxys

Youssef, Amal Mamdouh; Safo, Martin K.; Danso-Danquah, Richmond; Joshi, Gajanan S.; Kister, Jean; Marden, Michael C.; Abraham, Donald J.; Journal of Medicinal Chemistry; vol. 45; nb. 6; (2002); p. 1184 - 1195, View in Reaxys

to 5b

Hansen, Karl B; Springfield, Shawn A; Desmond, Richard; Devine, Paul N; Grabowski, Edward J.J; Reider, Paul J; Tetrahedron Letters; vol. 42; nb. 42; (2001); p. 7353 - 7355, View in Reaxys

c-Pentyl-COOH

Nefzi, Adel; Ong, Nhi A.; Houghten, Richard A.; Tetrahedron Letters; vol. 41; nb. 29; (2000); p. 5441 5446, View in Reaxys

C82

Boger, Dale L.; Goldberg, Joel; Satoh, Shigeki; Ambroise, Yves; Cohen, Steven B.; Vogt, Peter K.; Helvetica Chimica Acta; vol. 83; nb. 8; (2000); p. 1825 - 1845, View in Reaxys

CPA

Challenger, Stephen; Derrick, Andrew; Mason, Clive P.; Silk, Terry V.; Tetrahedron Letters; vol. 40; nb. 11; (1999); p. 2187 - 2190, View in Reaxys

1, R=c-C5H9

Asadullah, Mohammad; Kitamura, Tsugio; Fujiwara, Yuzo; Chemistry Letters; nb. 6; (1999); p. 449 - 450, View in Reaxys

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Tab.3, entry 4

Asadullah, Mohammad; Taniguchi, Yuki; Kitamura, Tsugio; Fujiwara, Yuzo; Tetrahedron Letters; vol. 40; nb. 50; (1999); p. 8867 - 8871, View in Reaxys

Bhat, Laxminarayan; Liu, Yanbin; Victory, Sam F.; Himes, Richard H.; Georg, Gunda I.; Bioorganic and Medicinal Chemistry Letters; vol. 8; nb. 22; (1998); p. 3181 - 3186, View in Reaxys

Patent-Specific Data (12) Prophetic ComLocation in Patent References pound Patent; BAYER CROPSCIENCE AKTIENGESELLSCHAFT; TELSER, Joachim; CRISTAU, Pierre; RINOLFI, Philippe; (100 pag.); WO2016/26830; (2016); (A1) English, View in Reaxys Patent; SUMITOMO CHEMICAL COMPANY, LIMITED; MASUYAMA, Tatsuro; YAMAMOTO, Satoshi; ICHIKAWA, Koji; (78 pag.); US2016/52861; (2016); (A1) English, View in Reaxys Patent; THIRD MILITARY MEDICAL UNIVERSITY OF PLA; WEI, YE; LIANG, HONGWEN; (22 pag.); CN104650033; (2016); (B) Chinese, View in Reaxys Page/Page column

Patent; Advinus Therapeutics Limited; Ramdas, Vidya; Koul, Summon; Basu, Sujay; Waman, Yogesh; Shejul, Yogesh; Barawkar, Dinesh; Palle, Ventaka Poornapragnacharyulu; US2012/225812; (2012); (A1) English, View in Reaxys; Patent; Chiesi farmaceutici S.p.A.; GHIDINI, Eleonora; US2014/69419; (2014); (A1) English, View in Reaxys; Patent; Aurigene Discovery Technologies Limited; UM Pharmauji Sdn.BHD; Takhi, Mohamed; Hosahalli, Subramanya; Panigrahi, Sunil Kumar; Mahadari, Muni Kumar; Kottam, Chandrashekar Reddy; Abd Rahman, Noorsaadah; Yusof, Rohana; US2014/275019; (2014); (A1) English, View in Reaxys Patent; Hangzhou Bensheng Pharmaceutical Co., Ltd.; XU, Rongzhen; RONG, Frank; XIE, Fuwen; LAI, Hongxi; EP2765133; (2014); (A1) English, View in Reaxys Patent; MEDICAL RESEARCH COUNCIL TECHNOLOGY; MCIVER, Edward, Giles; HOUGH, Joane; WO2010/100431; (2010); (A1) English, View in Reaxys

prophetic product

Patent; Pfizer Inc.; US5089480; (1992); (A1) English, View in Reaxys; Patent; Elzein, Elfatih; Ibrahim, Prabha; Palle, Venkata; Varkhedkar, Vaibhav; Zablocki, Jeff; US2005/20532; (2005); (A1) English, View in Reaxys; Patent; Dhalla, Arvinder; Chisholm, Jeffrey; Belardinelli, Luiz; US2009/203689; (2009); (A1) English, View in Reaxys Patent; Guerchet, Laurence; Coffey-Dawe, Lizabeth-Anne; US2008/260665; (2008); (A1) English, View in Reaxys Patent; Eisai RandD Management Co., Ltd.; EP1867650; (2007); (A1) English, View in Reaxys Patent; XENOPORT, INC.; WO2005/19163; (2005); (A2) English, View in Reaxys

prophetic product

Patent; Emisiphere Technologies, Inc.; US6348207; (2002); (B1) English, View in Reaxys Patent; Sankyo Company, Limited; EP1167366; (2002); (A1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

1.264

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

37.3

Lipinski Number

Veber Number

Derivative (8) Comment (Derivative)

References

Na-Salz: IR, Raman

Bardet et al.; Journal of Molecular Structure; vol. 28; (1975); p. 45,51,52, View in Reaxys

K-Salz: Rk. mit D2O <150grad> --> (α-D)-Cyclo-

Atkinson et al.; Journal of the American Chemical Society; vol. 90; (1968); p. 498, View in Reaxys

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pentancarbonsaeure Na-Salz: Rk. mit D2O <150grad> --> (α-D)-Cyclopentancarbonsaeure

Atkinson et al.; Journal of the American Chemical Society; vol. 90; (1968); p. 498, View in Reaxys

Na-Salz, ESR nach Bestrahlung

Zhidomirov; Tsvetkov; Optics and Spectroscopy; vol. 17; (1964); p. 34; ; p. 67, View in Reaxys

Natrium-Salz: C6H9NaO2 ESRSp. nach Roentgen-Bestrahlung

Tsvetkov et al.; Journal of the Chemical Society; (1964); p. 810,813, 814, 818, View in Reaxys

S-Benzyl-isoJart; Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series; vol. 24; (1963); p. 1,19,97, thiuronium-Salz: View in Reaxys IR; F: 158-159grad (aus CH2Cl2) 4-Brom-phenacylester: F: 76grad

Peters; Journal of the Chemical Society; (1960); p. 1832,1836, View in Reaxys

silver-salt; Further Patent; Hunsdiecker; Hunsdiecker; Vogt; DE730410; (1935); DRP/DRBP Org.Chem., View in Reaxys Data see Handbook (Chemical Behaviour) Melting Point (6) 1 of 6

Melting Point [°C]

3-4

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Melting Point [°C]

4.6

Kilpatrick; Morse; Journal of the American Chemical Society; vol. 75; (1953); p. 1846,1849, View in Reaxys 3 of 6

Melting Point [°C]

4-5

Faworski; Boshowski; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1100; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 984, View in Reaxys 4 of 6

Melting Point [°C]

3.5

Eykman; Chem. Zentralbl.; vol. 82; nb. II; (1911); p. 1029, View in Reaxys 5 of 6

Melting Point [°C]

-9 - -7

Rupe; Lotz; Justus Liebigs Annalen der Chemie; vol. 327; (1903); p. 184, View in Reaxys 6 of 6

Melting Point [°C]

-4 - -3

Wislicenus; Gaertner; Justus Liebigs Annalen der Chemie; vol. 275; (1893); p. 333, View in Reaxys Boiling Point (36) Boiling Point [°C] Pressure (Boiling Point) [Torr]

Comment (Boiling References Point)

130

Perumal, P. Thirumalai; Synthetic Communications; vol. 20; nb. 9; (1990); p. 1353 - 1356, View in Reaxys

104

Karaew et al.; Azerbaidzhanskii Khimicheskii Zhurnal; vol. 1; (1979); p. 76,79, View in Reaxys

Artamonov et al.; Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya; vol. 27; nb. 5; (1977); p. 85; Chem.Abstr.; vol. 88; nb. 22191g; (1978), View in Reaxys

89 - 91

Shatkina et al.; Doklady Chemistry; vol. 207; (1972); p. 977; Dokl. Akad. Nauk SSSR Ser. Khim.; vol. 207; (1972); p. 1144, View in Reaxys; Shatkina et al.; Doklady Chemistry; vol. 219; (1974); p. 911; Dokl. Akad. Nauk SSSR Ser. Khim.; vol. 219; (1974); p. 1392, View in Reaxys

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103

Ahonkhai; Emovon; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 69; (1973); p. 183,184-187, View in Reaxys

83 - 85

Mc Killop et al.; Journal of Organic Chemistry; vol. 37; (1972); p. 3381, View in Reaxys

106 - 110

Shaw; Knutson; Journal of Organic Chemistry; vol. 36; (1971); p. 1151, View in Reaxys

116 - 118

Moriconi,E.J.; Dutta,C.P.; Journal of Organic Chemistry; vol. 35; (1970); p. 2443 - 2445, View in Reaxys

103 - 104

Regitz,M.; Rueter,J.; Chemische Berichte; vol. 102; (1969); p. 3877 - 3890, View in Reaxys

103 - 105

Nakai et al.; Bulletin of the Chemical Society of Japan; vol. 42; (1969); p. 2917,2918, View in Reaxys

103.3 - 104

Puzitskii,K.V. et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); nb. 5; (1968); p. 1061 - 1063; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 5; (1968); p. 1117 - 1120, View in Reaxys

Goryaev et al.; Trudy Instituta Khimicheskikh Nauk, Akademiya Nauk Kazakhskoi SSR; vol. 19; (1967); p. 77,78-87; Chem.Abstr.; vol. 69; nb. 18646z; (1968), View in Reaxys

99 - 100

Shatkina et al.; Doklady Chemistry; vol. 173; (1967); p. 224; Doklady Akademii Nauk SSSR; vol. 173; (1967); p. 113, View in Reaxys

120

Braidy,R.; Bulletin de la Societe Chimique de France; nb. 9; (1967); p. 3489 - 3495, View in Reaxys

100 - 114

Paatz; Weisgerber; Chemische Berichte; vol. 100; (1967); p. 984, View in Reaxys

120 - 123

Bailey,W.J.; Daly,J.J.; Journal of Organic Chemistry; vol. 29; (1964); p. 1249 - 1251, View in Reaxys

102

Edwards,O.E.; Lesage,M.; Canadian Journal of Chemistry; vol. 41; (1963); p. 1592 - 1605, View in Reaxys

103.5 - 104

Eidus; Pusizkii; Neftekhimiya; vol. 1; (1962); p. 82,59, View in Reaxys

59 - 62

Payne; Journal of Organic Chemistry; vol. 26; (1961); p. 4793,4796, View in Reaxys

210 - 215

Balaban,A.T.; Nenitzescu,C.D.; Tetrahedron; vol. 10; (1960); p. 55 64, View in Reaxys

122

Peters; Journal of the Chemical Society; (1960); p. 1832,1836, View in Reaxys

87 - 89

2-3

Payne; Smith; Journal of Organic Chemistry; vol. 22; (1957); p. 1680, View in Reaxys

106.5 - 107

Kilpatrick; Morse; Journal of the American Chemical Society; vol. 75; (1953); p. 1846,1849, View in Reaxys

118

Adkins; Rosenthal; Journal of the American Chemical Society; vol. 72; (1950); p. 4550, View in Reaxys

105 - 106

Kohlrausch; Skrabal; Monatshefte fuer Chemie; vol. 70; (1937); p. 44,52, View in Reaxys

110

Neunhoeffer; Schlueter; Justus Liebigs Annalen der Chemie; vol. 526; (1936); p. 65,70, View in Reaxys

102 - 103

Nenitzescu; Cantuniari; Chemische Berichte; vol. 65; (1932); p. 807,811, View in Reaxys

208 - 210

683

Advani; Sudborough; Journal of the Indian Institute of Science; vol. 6; (1923); p. 54; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 997, View in Reaxys

7/19

2018-01-21 17:52:38

212.5 - 213.5

752

Nametkin; Rushenzowa; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1543; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 1111, View in Reaxys

116 - 118

Faworski; Boshowski; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1100; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 984, View in Reaxys

215 - 216

762

Faworski; Boshowski; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1100; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 984, View in Reaxys

92 - 93

Eykman; Chem. Zentralbl.; vol. 82; nb. II; (1911); p. 1029, View in Reaxys

104

Zelinsky; Chemische Berichte; vol. 41; (1908); p. 2629, View in Reaxys

215.5 - 216 112 - 113

Zelinsky; Chemische Berichte; vol. 41; (1908); p. 2629, View in Reaxys 14

Rupe; Lotz; Justus Liebigs Annalen der Chemie; vol. 327; (1903); p. 184, View in Reaxys

214 - 215

fluessig.

Wislicenus; Gaertner; Justus Liebigs Annalen der Chemie; vol. 275; (1893); p. 333, View in Reaxys

Refractive Index (23) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

References

1.4549

589

Karaew et al.; Azerbaidzhanskii Khimicheskii Zhurnal; vol. 1; (1979); p. 76,79, View in Reaxys

1.452

589

Bektursynov et al..; Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya; vol. 27; nb. 4; (1977); p. 63; Chem.Abstr.; vol. 88; nb. 22172b; (1978), View in Reaxys; Artamonov et al.; Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya; vol. 27; nb. 5; (1977); p. 85; Chem.Abstr.; vol. 88; nb. 22191g; (1978), View in Reaxys

1.4592

589

1.452

589

23.2

Ahonkhai; Emovon; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 69; (1973); p. 183,184-187, View in Reaxys

1.4531

589

Shaw; Knutson; Journal of Organic Chemistry; vol. 36; (1971); p. 1151, View in Reaxys

1.4538

589

1.4535

589

Goryaev et al.; Trudy Instituta Khimicheskikh Nauk, Akademiya Nauk Kazakhskoi SSR; vol. 19; (1967); p. 77,78-87; Chem.Abstr.; vol. 69; nb. 18646z; (1968), View in Reaxys

1.451

589

Braidy,R.; Bulletin de la Societe Chimique de France; nb. 9; (1967); p. 3489 - 3495, View in Reaxys

1.4514

589

Bailey,W.J.; Daly,J.J.; Journal of Organic Chemistry; vol. 29; (1964); p. 1249 - 1251, View in Reaxys

1.454

589

Edwards,O.E.; Lesage,M.; Canadian Journal of Chemistry; vol. 41; (1963); p. 1592 - 1605, View in Reaxys

1.4507

589

Payne; Journal of Organic Chemistry; vol. 26; (1961); p. 4793,4796, View in Reaxys

8/19

2018-01-21 17:52:38

1.4534

589

Payne; Smith; Journal of Organic Chemistry; vol. 22; (1957); p. 1680, View in Reaxys

1.453

589

Kilpatrick; Morse; Journal of the American Chemical Society; vol. 75; (1953); p. 1846,1849, View in Reaxys

1.4522

589

Adkins; Rosenthal; Journal of the American Chemical Society; vol. 72; (1950); p. 4550, View in Reaxys

1.4539

589

18.2

Kohlrausch; Skrabal; Monatshefte fuer Chemie; vol. 70; (1937); p. 44,52, View in Reaxys

1.4532

589

Nametkin; Rushenzowa; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1543; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 1111, View in Reaxys

1.4534

589

Zelinsky; Chemische Berichte; vol. 41; (1908); p. 2629, View in Reaxys

1.4504

656.3

17.7

Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys

1.4528

589

17.7

Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys

1.45858

486.1

17.7

Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys

1.4533

656.3

15.5

Eykman; Chem. Weekbl.; vol. 8; p. 659, View in Reaxys

1.4614

486.1

15.5

Eykman; Chem. Weekbl.; vol. 8; p. 659, View in Reaxys

1.4661

434

15.5

Eykman; Chem. Weekbl.; vol. 8; p. 659, View in Reaxys

Density (11) 1 of 11

Density [g·cm-3]

1.056

Reference Temperature [°C]

Measurement Temperature [°C]

Karaew et al.; Azerbaidzhanskii Khimicheskii Zhurnal; vol. 1; (1979); p. 76,79, View in Reaxys 2 of 11

Density [g·cm-3]

1.0533

Reference Temperature [°C]

Measurement Temperature [°C]

Bektursynov et al..; Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya; vol. 27; nb. 4; (1977); p. 63; Chem.Abstr.; vol. 88; nb. 22172b; (1978), View in Reaxys 3 of 11

Density [g·cm-3]

1.0515

Reference Temperature [°C]

Measurement Temperature [°C]

Density [g·cm-3]

1.051

Reference Temperature [°C]

Measurement Temperature [°C]

Farquharson; Sastri; Transactions of the Faraday Society; vol. 33; (1937); p. 1472, View in Reaxys 5 of 11

Density [g·cm-3]

1.0524

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Reference Temperature [°C]

Measurement Temperature [°C]

Nametkin; Rushenzowa; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1543; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 1111, View in Reaxys 6 of 11

Density [g·cm-3]

1.0527

Reference Temperature [°C]

Measurement Temperature [°C]

Faworski; Boshowski; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 46; (1914); p. 1100; Chem. Zentralbl.; vol. 86; nb. I; (1915); p. 984, View in Reaxys 7 of 11

Density [g·cm-3]

1.0555

Reference Temperature [°C]

Measurement Temperature [°C]

15.5

Eykman; Chem. Zentralbl.; vol. 82; nb. II; (1911); p. 1029, View in Reaxys 8 of 11

Density [g·cm-3]

1.051

Reference Temperature [°C]

Measurement Temperature [°C]

Zelinsky; Chemische Berichte; vol. 41; (1908); p. 2629, View in Reaxys 9 of 11

Density [g·cm-3]

1.0385

Reference Temperature [°C]

Measurement Temperature [°C]

Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys 10 of 11

Density [g·cm-3]

1.0452

Reference Temperature [°C]

Measurement Temperature [°C]

Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys 11 of 11

Density [g·cm-3]

1.054

Reference Temperature [°C]

Measurement Temperature [°C]

Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys Adsorption (MCS) (2) 1 of 2

Description (Adsorption (MCS))

Further physical properties of the adsorbed molecule

Temperature (Adsorption (MCS)) [°C]

10/19

2018-01-21 17:52:38

Partner (Adsorption (MCS))

air/water interface

Spitzer, Jan J.; Heerze, Louis D.; Canadian Journal of Chemistry; vol. 61; (1983); p. 1067 - 1070, View in Reaxys 2 of 2

Description (Adsorption (MCS))

Adsorption

Dzhafarova et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 49; (1979); p. 430,376, View in Reaxys Association (MCS) (7) 1 of 7

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

acidic aq. solution

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

mono[6-O-(ethoxyhydroxyphosphoryl)]-β-cyclodextrin

Liu, Yu; Li, Li; Li, Xiao-Yun; Zhang, Heng-Yi; Wada, Takehiko; Inoue, Yoshihisa; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3646 - 3657, View in Reaxys 2 of 7

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

acidic aq. solution

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

mono[6-O-(diethylamino-ethoxyphosphoryl)]-β-cyclodextrin

Liu, Yu; Li, Li; Li, Xiao-Yun; Zhang, Heng-Yi; Wada, Takehiko; Inoue, Yoshihisa; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3646 - 3657, View in Reaxys 3 of 7

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

acidic aq. solution

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

6A-O-(diphenoxyphosphoryl)-β-cyclodextrin

Liu, Yu; Li, Li; Li, Xiao-Yun; Zhang, Heng-Yi; Wada, Takehiko; Inoue, Yoshihisa; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3646 - 3657, View in Reaxys 4 of 7

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

acidic aq. solution

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

6A-O-(diphenoxyphosphoryl)-β-cyclodextrin

Liu, Yu; Li, Li; Li, Xiao-Yun; Zhang, Heng-Yi; Wada, Takehiko; Inoue, Yoshihisa; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3646 - 3657, View in Reaxys 5 of 7

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

acidic aq. solution

Temperature (Association (MCS)) [°C]

11/19

2018-01-21 17:52:38

Partner (Association (MCS))

mono[6-O-(diethylamino-ethoxyphosphoryl)]-β-cyclodextrin

Liu, Yu; Li, Li; Li, Xiao-Yun; Zhang, Heng-Yi; Wada, Takehiko; Inoue, Yoshihisa; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3646 - 3657, View in Reaxys 6 of 7

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

acidic aq. solution

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

mono[6-O-(ethoxyhydroxyphosphoryl)]-β-cyclodextrin

Liu, Yu; Li, Li; Li, Xiao-Yun; Zhang, Heng-Yi; Wada, Takehiko; Inoue, Yoshihisa; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3646 - 3657, View in Reaxys 7 of 7

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O; NaCl

Temperature (Association (MCS)) [°C]

Comment (Association (MCS))

Ratio of solvents: 0.1M

Partner (Association (MCS))

β-Dextrin

Eftink, Maurice R.; Andy, Maria L.; Bystrom, Katarina; Perlmutter, Howard D.; Kristol, David S.; Journal of the American Chemical Society; vol. 111; nb. 17; (1989); p. 6765 - 6772, View in Reaxys Crystal Property Description (4) Colour & Other Location Properties yellow

yellow

References Ostapowicz, Thomas G.; Schmitz, Marc; Krystof, Monika; Klankermayer, Juergen; Leitner, Walter; Angewandte Chemie - International Edition; vol. 52; nb. 46; (2013); p. 12119 - 12123; Angew. Chem.; vol. 125; nb. 46; (2013); p. 12341 - 12345, View in Reaxys; Ghalehshahi, Hajar Golshadi; Madsen, Robert; Chemistry - A European Journal; vol. 23; nb. 49; (2017); p. 11920 - 11926, View in Reaxys

supporting information

Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian; Organic Letters; vol. 16; nb. 22; (2014); p. 5960 - 5963, View in Reaxys; Wang, Yang; Ren, Wenlong; Shi, Yian; Organic and Biomolecular Chemistry; vol. 13; nb. 31; (2015); p. 8416 - 8419, View in Reaxys; Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben; Journal of the American Chemical Society; vol. 139; nb. 35; (2017); p. 12161 - 12164, View in Reaxys

colourless

Santilli, Carola; Makarov, Ilya S.; Fristrup, Peter; Madsen, Robert; Journal of Organic Chemistry; vol. 81; nb. 20; (2016); p. 9931 - 9938, View in Reaxys

colorless

Patent; GLAXO GROUP LIMITED; WO2006/2956; (2006); (A1) English, View in Reaxys

Dissociation Exponent (10) 1 of 10

Dissociation Exponent (pK)

4.99

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O; NaCl

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

12/19

2018-01-21 17:52:38

Comment (Dissociation Exponent)

Ratio of solvents: 0.1M

Comment (Dissociation Exponent)

(pk')pK(a) in H2O

Kusuyama; Ikeda; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 724, View in Reaxys 3 of 10

Comment (Dissociation Exponent)

(pk')pK(a) in EtOH, H2O (50:50)

Kusuyama; Ikeda; Bulletin of the Chemical Society of Japan; vol. 49; (1976); p. 724, View in Reaxys 4 of 10

Comment (Dissociation Exponent)

(k')

Granger,R. et al.; Bulletin de la Societe Chimique de France; (1960); p. 220 - 221, View in Reaxys; McDonald; Reitz; Journal of the American Chemical Society; vol. 98; (1976); p. 8144,8146, View in Reaxys 5 of 10

Comment (Dissociation Exponent)

(pk')pK

Christensen et al.; Thermochimica Acta; vol. 4; (1972); p. 17,19, View in Reaxys 6 of 10

Comment (Dissociation Exponent)

(pk')pK(a): 6.43 +- 0.01

Krapcho,A.P.; Johanson,R.G.; Journal of Organic Chemistry; vol. 36; nb. 1; (1971); p. 146 - 157, View in Reaxys 7 of 10

Comment (Dissociation Exponent)

(pk')pK(a)

Wheeler et al.; Journal of Organic Chemistry; vol. 26; (1961); p. 2505, View in Reaxys 8 of 10

Dissociation Exponent (pK)

4.99

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a/thermodynamic

Kilpatrick; Morse; Journal of the American Chemical Society; vol. 75; (1953); p. 1846,1849, View in Reaxys 9 of 10

Dissociation Exponent (pK)

4.94

Temperature (Dissociation Exponent) [°C]

Type (Dissociation Exponent)

apparent

Spiers; Thorpe; Journal of the Chemical Society; vol. 127; (1925); p. 544, View in Reaxys 10 of 10

Dissociation Exponent (pK)

4.91

Temperature (Dissociation Exponent) [°C]

Type (Dissociation Exponent)

apparent

Zelinsky; Izgaryschew; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 40; (1908); p. 1387; Chem. Zentralbl.; vol. 80; nb. I; (1909); p. 532, View in Reaxys Electrochemical Behaviour (4)

13/19

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Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour)

References

Thermodynamic parameters for dissociation / protonation

Caldwell, Gary; Renneboog, Richard; Kebarle, Paul; Canadian Journal of Chemistry; vol. 67; (1989); p. 611 - 618, View in Reaxys

Electrolytic dissociation / protonation equilibrium

in Methanol, in Aethanol und in Aethylenglykol.

Kilpatrick; Morse; Journal of the American Chemical Society; vol. 75; (1953); p. 1846,1849, View in Reaxys

Electrolytic dissociation / protonation equilibrium

in wss. Aethanol.

Roberts; Chambers; Journal of the American Chemical Society; vol. 73; (1951); p. 5030, View in Reaxys

Electrolytic dissociation / protonation equilibrium

in wss. Dioxan.

Lochte; Brown; Journal of the American Chemical Society; vol. 72; (1950); p. 4297, View in Reaxys

Further Information (6) Description (Fur- References ther Information) Further information

Shaw; Tatum; Applied Spectroscopy; vol. 24; (1970); p. 294, View in Reaxys

Further information

Atkinson et al.; Journal of the American Chemical Society; vol. 90; (1968); p. 498, View in Reaxys

Further information

Krackov et al.; Journal of the American Chemical Society; vol. 88; (1966); p. 1759,1760, View in Reaxys

Further information

Tsvetkov et al.; Journal of the Chemical Society; (1964); p. 810,813, 814, 818, View in Reaxys

Further information

Zhidomirov; Tsvetkov; Optics and Spectroscopy; vol. 17; (1964); p. 34; ; p. 67, View in Reaxys

Further information

Jart; Acta Polytechnica Scandinavica, Chemistry Including Metallurgy Series; vol. 24; (1963); p. 1,19,97, View in Reaxys

Heat Capacity Cp (1) References Christensen et al.; Thermochimica Acta; vol. 4; (1972); p. 17,19, View in Reaxys Optics (1) Description (Optics) Magnetorotation

References Haworth; Perkin; Journal of the Chemical Society; vol. 65; (1894); p. 104; Chemische Berichte; vol. 26; (1893); p. 2249, View in Reaxys

Other Thermochemical Data (3) Description (Oth- References er Thermochemical Data) Entropy

Christensen et al.; Thermochimica Acta; vol. 4; (1972); p. 17,19, View in Reaxys

Enthalpy

Christensen et al.; Thermochimica Acta; vol. 4; (1972); p. 17,19, View in Reaxys

Thermodynamic properties

Christensen et al.; Thermochimica Acta; vol. 4; (1972); p. 17,19, View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

in Ae. l.

Fusco,R. et al.; Gazzetta Chimica Italiana; vol. 91; (1961); p. 933 - 957, View in Reaxys NMR Spectroscopy (15) 1 of 15

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

14/19

2018-01-21 17:52:38

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

400

Location

supporting information

Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian; Organic Letters; vol. 16; nb. 22; (2014); p. 5960 - 5963, View in Reaxys; Wang, Yang; Ren, Wenlong; Shi, Yian; Organic and Biomolecular Chemistry; vol. 13; nb. 31; (2015); p. 8416 - 8419, View in Reaxys; Santilli, Carola; Makarov, Ilya S.; Fristrup, Peter; Madsen, Robert; Journal of Organic Chemistry; vol. 81; nb. 20; (2016); p. 9931 - 9938, View in Reaxys; Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben; Journal of the American Chemical Society; vol. 139; nb. 35; (2017); p. 12161 - 12164, View in Reaxys 2 of 15

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

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Ghalehshahi, Hajar Golshadi; Madsen, Robert; Chemistry - A European Journal; vol. 23; nb. 49; (2017); p. 11920 - 11926, View in Reaxys 3 of 15

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

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Ghalehshahi, Hajar Golshadi; Madsen, Robert; Chemistry - A European Journal; vol. 23; nb. 49; (2017); p. 11920 - 11926, View in Reaxys 4 of 15

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

Gaydou, Morgane; Moragas, Toni; Juliá-Hernández, Francisco; Martin, Ruben; Journal of the American Chemical Society; vol. 139; nb. 35; (2017); p. 12161 - 12164, View in Reaxys 5 of 15

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

15/19

2018-01-21 17:52:38

Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian; Organic Letters; vol. 16; nb. 22; (2014); p. 5960 - 5963, View in Reaxys; Wang, Yang; Ren, Wenlong; Shi, Yian; Organic and Biomolecular Chemistry; vol. 13; nb. 31; (2015); p. 8416 - 8419, View in Reaxys; Santilli, Carola; Makarov, Ilya S.; Fristrup, Peter; Madsen, Robert; Journal of Organic Chemistry; vol. 81; nb. 20; (2016); p. 9931 - 9938, View in Reaxys 6 of 15

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

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

300

Location

supporting information

Zhao, Junfeng; Mueck-Lichtenfeld, Christian; Studer, Armido; Advanced Synthesis and Catalysis; vol. 355; nb. 6; (2013); p. 1098 - 1106, View in Reaxys 7 of 15

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

13C

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

Location

supporting information

Zhao, Junfeng; Mueck-Lichtenfeld, Christian; Studer, Armido; Advanced Synthesis and Catalysis; vol. 355; nb. 6; (2013); p. 1098 - 1106, View in Reaxys 8 of 15

Nucleus (NMR Spectroscopy)

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

1HNMR

Comment (NMR Spectroscopy)

Signals given

(CDCI3) 5: 1.5-1.9 (8H, m), 2.75 (1H, m).

Patent; GLAXO GROUP LIMITED; WO2006/2956; (2006); (A1) English, View in Reaxys 9 of 15

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

13C

Temperature (NMR Spectroscopy) [°C]

Reis, Patricia M.; Silva, Jose A.L.; Palavra, Antonio F.; Frausto Da Silva, Joao J.R.; Pombeiro, Armando J.L.; Journal of Catalysis; vol. 235; nb. 2; (2005); p. 333 - 340, View in Reaxys 10 of 15

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

13C

Solvents (NMR Spectro- CDCl3 scopy) Six, Yvan; European Journal of Organic Chemistry; nb. 7; (2003); p. 1157 - 1171, View in Reaxys 11 of 15

Description (NMR Spec- Chemical shifts troscopy)

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Nucleus (NMR Spectroscopy)

Perumal, P. Thirumalai; Synthetic Communications; vol. 20; nb. 9; (1990); p. 1353 - 1356, View in Reaxys 12 of 15

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

13C

Perumal, P. Thirumalai; Synthetic Communications; vol. 20; nb. 9; (1990); p. 1353 - 1356, View in Reaxys 13 of 15

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

13C

Solvents (NMR Spectro- CDCl3 scopy) Schneider,H.J.; Nguyen-Ba,N.; Thomas,F.; Tetrahedron; vol. 38; (1982); p. 2327, View in Reaxys 14 of 15

Description (NMR Spec- Spin-spin coupling constants troscopy) Marshall,J.L.; Miller,D.E.; Journal of the American Chemical Society; vol. 95; (1973); p. 8305, View in Reaxys; McDonald; Reitz; Journal of the American Chemical Society; vol. 98; (1976); p. 8144,8146, View in Reaxys

15 of 15

Description (NMR Spec- NMR troscopy) Marshall,J.L.; Miller,D.E.; Journal of the American Chemical Society; vol. 95; (1973); p. 8305, View in Reaxys; Chopard; Hudson; Journal of the Chemical Society [Section] B: Physical Organic; (1966); p. 1089,1093, View in Reaxys; Marr; Stothers; Canadian Journal of Chemistry; vol. 45; (1967); p. 225,228, View in Reaxys; Braidy; Bulletin de la Societe Chimique de France; (1967); p. 3489, View in Reaxys

IR Spectroscopy (3) 1 of 3

Description (IR Spectroscopy)

Bands

Location

supporting information

Comment (IR Spectroscopy)

film

Description (IR Spectroscopy)

Bands

Regitz,M.; Rueter,J.; Chemische Berichte; vol. 102; (1969); p. 3877 - 3890, View in Reaxys; Wexler; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 23; (1967); p. 1319,1323, View in Reaxys; Yohannan Panicker; Varghese, Hema Tresa; Chandran, Asha; Oriental Journal of Chemistry; vol. 27; nb. 4; (2011); p. 1771 - 1774, View in Reaxys 3 of 3

Description (IR Spectroscopy)

de Botton,M.; Bulletin de la Societe Chimique de France; (1975); p. 1773 - 1776, View in Reaxys; de Botton; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 272; (1971); p. 118, View in Reaxys; Goryaev et al.; Trudy Instituta Khimicheskikh Nauk, Akademiya Nauk Kazakhskoi SSR; vol. 19; (1967); p. 77,78-87; Chem.Abstr.; vol. 69; nb. 18646z; (1968), View in Reaxys; Bardet et al.; Journal of Molecular Structure; vol. 28; (1975); p. 45,51,52, View in Reaxys; Macphee; Dubois; Tetrahedron Letters; (1978); p. 2225, View in Reaxys; Braidy; Bulletin de la Societe Chimique de France; (1967); p. 3489, View in Reaxys Mass Spectrometry (5) Description (Mass Location Spectrometry)

References

electron impact (EI); spectrum

Ghalehshahi, Hajar Golshadi; Madsen, Robert; Chemistry - A European Journal; vol. 23; nb. 49; (2017); p. 11920 - 11926, View in Reaxys

high resolution mass spectrome-

supporting information

Wang, Yang; Ren, Wenlong; Li, Jingfu; Wang, Haining; Shi, Yian; Organic Letters; vol. 16; nb. 22; (2014); p. 5960 - 5963, View in Reaxys

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try (HRMS); electrospray ionisation (ESI); spectrum fragmentation pattern; electron impact (EI); spectrum

Vainiotalo, Pirjo; Maelkoenen, Pentti J.; Acta Chemica Scandinavica; vol. 44; nb. 5; (1990); p. 500 - 503, View in Reaxys

chemical ionization (CI)

Vainiotalo, Pirjo; Maelkoenen, Pentti J.; Organic Mass Spectrometry; vol. 22; (1987); p. 688 - 692, View in Reaxys Shaw; Tatum; Applied Spectroscopy; vol. 24; (1970); p. 294, View in Reaxys; Beijer et al.; Justus Liebigs Annalen der Chemie; (1978); p. 771,774, View in Reaxys

UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

UV/VIS

Caswell et al.; Journal of Organic Chemistry; vol. 41; (1976); p. 3312,3313, View in Reaxys Raman Spectroscopy (2) Description (Ram- References an Spectroscopy) Raman

Bardet et al.; Journal of Molecular Structure; vol. 28; (1975); p. 45,51,52, View in Reaxys

Spectrum

Kohlrausch; Skrabal; Monatshefte fuer Chemie; vol. 70; (1937); p. 44,52, View in Reaxys

Ecotoxicology (1) 1 of 1

Effect (Ecotoxicology)

biotransformation

Species or Test-System (Ecotoxicology)

Streptomyces nodosus ssp. asukaensis (ATCC 29757)

Concentration (Ecotoxicology)

4 mmol/l

Method (Ecotoxicology)

culture incubated with title comp. at 28 deg C for 72 h; analyzed by HPLC, LC-MS/MS and GC-MS

Comment (Ecotoxicology)

Further metabolite(s)

Metabolite (Ecotoxicology)

asukamycin; cyclopentyl-asukamycin; asukamycin B

Hu, Yiding; Floss, Heinz G.; Heterocycles; vol. 69; nb. 1; (2006); p. 133 - 149, View in Reaxys Use (1) Use Pattern

References

starting material for preparing a polycondensate

Patent; Guerchet, Laurence; Coffey-Dawe, Lizabeth-Anne; US2008/260665; (2008); (A1) English, View in Reaxys

Isolation from Natural Product (2) Isolation from References Natural Product Isolierung aus ka- Ney et al.; Journal of the American Chemical Society; vol. 65; (1943); p. 770,775, View in Reaxys lifornischem Erdoel Isolierung aus rumaenischem Erdoel

Nenitzescu; Isacescu; Volrap; Chemische Berichte; vol. 71; (1938); p. 2056,2062, View in Reaxys

Medchem (2) 1 of 2

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

2039729View in Reaxys

Substance Name

81245

Qualitative Results

no inhibition of the growth of Nocardia sp. strain KUC-7N at a concentration of 0.2percent

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Measurement Parameter

Qualitative

Hasegawa, Yoshie; Hamano, Katsuhiko; Obata, Hitoshi; Tokuyama, Tai; Agricultural and Biological Chemistry; vol. 46; nb. 5; (1982); p. 1139 - 1144, View in Reaxys 2 of 2

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |biotransformation Target : Streptomyces nodosus ssp. asukaensis (ATCC 29757)Bioassay : culture incubated with title comp. at 28 deg C for 72 h; analyzed by HPLC, LC-MS/MS and GC-MS

Substance RN

2039729View in Reaxys

Substance Name

81245

Substance Dose

4 mM

Qualitative Results

Further metabolite(s)

Measurement Parameter

Qualitative

Hu, Yiding; Floss, Heinz G.; Heterocycles; vol. 69; nb. 1; (2006); p. 133 - 149, View in Reaxys

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