2-Pyridinecarboxaldehyde (Picolinaldehyde) [C6H5NO] by Asch

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Reaxys ID 105341 View in Reaxys

1/1 CAS Registry Number: 1121-60-4 Chemical Name: pyridine-2-carbaldehyde; pyridine-2- carbaldehyde; 2-Pyridine carboxaldehyde; 2-pyridinecarboxyaldehyde; Pyridine-2carboxaldehyde Linear Structure Formula: (COH)C5NH4 Molecular Formula: C6H5NO Molecular Weight: 107.112 Type of Substance: heterocyclic InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Note:

N O

Substance Label (409) Label References 10

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pyca

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17v

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2{25}

Tu, Xing-Jun; Fan, Wei; Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; ACS Combinatorial Science; vol. 16; nb. 11; (2014); p. 647 - 651, View in Reaxys

Burkholder, Conrad R.; Dolbier Jr., William R.; Medebielle, Maurice; Journal of Fluorine Chemistry; vol. 109; nb. 1; (2001); p. 39 - 48, View in Reaxys; Swamy; Suresh; Someshwar; Nagaraju; Synthetic Communications; vol. 34; nb. 10; (2004); p. 1847 - 1853, View in Reaxys; Krapcho, A. Paul; Cadamuro, Sergio A.; Journal of Heterocyclic Chemistry; vol. 41; nb. 2; (2004); p. 291 - 294, View in Reaxys; Patent; BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM; BECKER, Frederick, F.; BANIK, Bimal, K.; WO2012/103456; (2012); (A2) English, View in Reaxys; Batista, Poliane K.; Alves, Danilo J.M.; Rodrigues, Marcelo O.; De Sa, Gilberto F.; Junior, Severino A.; Vale, Juliana A.; Journal of Molecular Catalysis A: Chemical; vol. 379; (2013); p. 68 - 71, View in Reaxys

Ignacio, Jose Miguel; Macho, Sonia; Marcaccini, Stefano; Pepino, Roberto; Torroba, Tomas; Synlett; nb. 20; (2005); p. 3051 - 3054; Art.No: G27105ST, View in Reaxys; Wu, Shaoxiang; Guo, Jiyi; Sohail, Muhammad; Cao, Chengyao; Chen, Fu-Xue; Journal of Fluorine Chemistry; vol. 148; (2013); p. 19 - 29, View in Reaxys

Tiwari, Rakesh Kumar; Verma, Akhilesh K.; Chhillar, Anil K.; Singh, Devender; Singh, Jaspal; Kasi Sankar; Yadav, Vibha; Sharma; Chandra, Ramesh; Bioorganic and Medicinal Chemistry; vol. 14; nb. 8; (2006); p. 2747 - 2752, View in Reaxys; Nishimura, Rodolfo H.V.; Toledo, Fabiano T.; Lopes, João L.C.; Clososki, Giuliano C.; Tetrahedron Letters; vol. 54; nb. 4; (2013); p. 287 - 290, View in Reaxys

Edayadulla, Naushad; Ramesh, Penugonda; Medicinal Chemistry Research; vol. 21; nb. 8; (2012); p. 2056 - 2063, View in Reaxys; Janaki; Bhadraiah; Acharya Nagarjuna; Subhashini; Letters in Drug Design and Discovery; vol. 10; nb. 10; (2013); p. 923 - 927, View in Reaxys

Kanagaraj, Kuppusamy; Pitchumani, Kasi; Journal of Organic Chemistry; vol. 78; nb. 2; (2013); p. 744 - 751, View in Reaxys

19/82

2018-04-04 14:10:34

Yamaguchi, Kazuya; Kobayashi, Hiroaki; Wang, Ye; Oishi, Takamichi; Ogasawara, Yoshiyuki; Mizuno, Noritaka; Catalysis Science and Technology; vol. 3; nb. 2; (2013); p. 318 - 327, View in Reaxys

Janicki, Rafal; Journal of Molecular Structure; vol. 1036; (2013); p. 35 - 41, View in Reaxys

Yasuno, Yoko; Hamada, Makoto; Yamada, Takeshi; Shinada, Tetsuro; Ohfune, Yasufumi; European Journal of Organic Chemistry; nb. 10; (2013); p. 1884 - 1888, View in Reaxys

L%1&

Liu, Jun-Liang; Chen, Yan-Cong; Li, Quan-Wen; Gomez-Coca, Silvia; Aravena, Daniel; Ruiz, Eliseo; Lin, WeiQuan; Leng, Ji-Dong; Tong, Ming-Liang; Chemical Communications; vol. 49; nb. 58; (2013); p. 6549 - 6551, View in Reaxys

Ueda, Tsuyoshi; Konishi, Hideyuki; Manabe, Kei; Angewandte Chemie - International Edition; vol. 52; nb. 33; (2013); p. 8611 - 8615; Angew. Chem.; vol. 125; nb. 33; (2013); p. 8773 - 8777,5, View in Reaxys

28h

Zhu, Junjie; Ye, Yangliang; Ning, Mengmeng; Mandi, Attila; Feng, Ying; Zou, Qingan; Kurtan, Tibor; Leng, Ying; Shen, Jianhua; ChemMedChem; vol. 8; nb. 7; (2013); p. 1210 - 1223, View in Reaxys

12t

Sathesh, Venkatesan; Sathishkumar, Munusamy; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer; RSC Advances; vol. 3; nb. 45; (2013); p. 23035 - 23045, View in Reaxys

AL19

Kumar, Sarvesh; Thornton, Paul D.; Santini, Conrad; ACS Combinatorial Science; vol. 15; nb. 11; (2013); p. 564 571, View in Reaxys

Rennison, David; Conole, Daniel; Tingle, Malcolm D.; Yang, Junpeng; Eason, Charles T.; Brimble, Margaret A.; Bioorganic and Medicinal Chemistry Letters; vol. 23; nb. 24; (2013); p. 6629 - 6635, View in Reaxys

111

Nishikawa, Keisuke; Fukuda, Hiroshi; Abe, Masato; Nakanishi, Kazunari; Taniguchi, Tomoya; Nomura, Takashi; Yamaguchi, Chihiro; Hiradate, Syuntaro; Fujii, Yoshiharu; Okuda, Katsuhiro; Shindo, Mitsuru; Phytochemistry; vol. 96; (2013); p. 132 - 147, View in Reaxys

Kucherenko; Siyutkin; Dashkin; Zlotin; Russian Chemical Bulletin; vol. 62; nb. 4; (2013); p. 1010 - 1015; Izv. Akad. Nauk, Ser. Khim.; nb. 4; (2013); p. 1010 - 1014,5, View in Reaxys

Rueger, Anne J.; Nieger, Martin; Braese, Stefan; Tetrahedron; vol. 68; nb. 42; (2012); p. 8823 - 8829, View in Reaxys

Chang, Meng-Yang; Wu, Ming-Hao; Tetrahedron; vol. 68; nb. 47; (2012); p. 9616 - 9623, View in Reaxys; Zhu, Mingwen; Fujita, Ken-Ichi; Yamaguchi, Ryohei; Journal of Organic Chemistry; vol. 77; nb. 20; (2012); p. 9102 - 9109,8, View in Reaxys

El Maatougui, Abdelaziz; Azuaje, Jhonny; Coelho, Alberto; Yaziji, Vicente; Carbajales, Carlos; Sotelo, Eddy; Lopez, Carmen; Cano, Ernesto; Yanez, Matilde; Combinatorial Chemistry and High Throughput Screening; vol. 15; nb. 7; (2012); p. 551 - 554,4, View in Reaxys

Zhao, Yingwei; Lei, Min; Yang, Lei; Han, Feng; Li, Zhen; Xia, Chungu; Organic and Biomolecular Chemistry; vol. 10; nb. 45; (2012); p. 8956 - 8959,4, View in Reaxys

Omote, Masaaki; Miake, Tatsuya; Tarui, Atsushi; Sato, Kazuyuki; Welch, John T.; Kumadaki, Itsumaro; Ando, Akira; Journal of Fluorine Chemistry; vol. 144; (2012); p. 114 - 117, View in Reaxys

10g

Kochetkov, Sergei V.; Kucherenko, Alexandr S.; Kryshtal, Galina V.; Zhdankina, Galina M.; Zlotin, Sergei G.; European Journal of Organic Chemistry; nb. 36; (2012); p. 7129 - 7134, View in Reaxys

2e; 2f

Wang, Qiang; Zhang, Shuai; Guo, Fengfeng; Zhang, Baiqun; Hu, Ping; Wang, Zhiyong; Journal of Organic Chemistry; vol. 77; nb. 24; (2012); p. 11161 - 11166, View in Reaxys

L%2&

Patel, Mohan N.; Bhatt, Bhupesh S.; Dosi, Promise A.; Chemistry and Biodiversity; vol. 9; nb. 12; (2012); p. 2810 2824, View in Reaxys

46.G

Patent; AMGEN INC.; DU, Xiaohui; FU, Zice; HOUZE, Jonathan, B.; JIAO, Xianyun; KIM, Yong-jae; LI, Leping; LIU, Jinqian; LIZARZABURU, Mike; MEDINA, Julio; SHEN, Wang; TURCOTTE, Simon; YU, Ming; WO2010/93849; (2010); (A2) English, View in Reaxys

Tsuge, Otohiko; Hatta, Taizo; Tashiro, Hideki; Kakura, Yoshikazu; Maeda, Hironori; Kakehi, Akikazu; Tetrahedron; vol. 56; nb. 39; (2000); p. 7723 - 7735, View in Reaxys; Lee, Yu-Kai; Parks, Daniel J.; Lu, Tianbao; Thieu, Tho V.; Markotan, Thomas; Pan, Wenxi; McComsey, David F.; Milkiewicz, Karen L.; Crysler, Carl S.; Ninan, Nisha; Abad, Marta C.; Giardino, Edward C.; Maryanoff, Bruce E.; Damiano, Bruce P.; Player, Mark R.; Journal of Medicinal Chemistry; vol. 51; nb. 2; (2008); p. 282 - 297, View in Reaxys

ald. Table 2 entry 14

Mannam, Sreedevi; Sekar; Tetrahedron Letters; vol. 49; nb. 6; (2008); p. 1083 - 1086, View in Reaxys

educt to 3c

Yim, Heung-Seop; Kim, Mi-Ra; Sung, Gi-Hyeon; Chung, Hyun-A.; Lee, Jin-Kook; Lee, Sang-Gyeong; Yoon, Yong-Jin; Journal of Heterocyclic Chemistry; vol. 45; nb. 1; (2008); p. 215 - 220, View in Reaxys

Table 1, entry 16

Su, Fang-Zheng; Liu, Yong-Mei; Wang, Lu-Cun; Cao, Yong; He, He-Yong; Fan, Kang-Nian; Angewandte Chemie - International Edition; vol. 47; nb. 2; (2008); p. 334 - 337, View in Reaxys

20/82

2018-04-04 14:10:34

educt to i

Jarenmark, Martin; Kappen, Sascha; Haukka, Matti; Nordlander, Ebbe; Dalton Transactions; nb. 8; (2008); p. 993 - 996, View in Reaxys

Paquette, Leo A.; Synthesis; nb. 5; (2003); p. 765 - 774, View in Reaxys; Malkov, Andrei V.; Stewart-Liddon, Angus J.P.; Teply, Filip; Kobr, Lukas; Muir, Kenneth W.; Haigh, David; Kocovsky, Pavel; Tetrahedron; vol. 64; nb. 18; (2008); p. 4011 - 4025, View in Reaxys

t.3, aldehyde, entry c

Antonioletti; Bonadies; Ciammaichella; Viglianti; Tetrahedron; vol. 64; nb. 20; (2008); p. 4644 - 4648, View in Reaxys

19d

Gemma, Sandra; Campiani, Giuseppe; Butini, Stefania; Kukreja, Gagan; Coccone, Salvatore Sanna; Joshi, Bhupendra P.; Persico, Marco; Nacci, Vito; Fiorini, Isabella; Novellino, Ettore; Fattorusso, Ernesto; Taglialatela-Scafati, Orazio; Savini, Luisa; Taramelli, Donatella; Basilico, Nicoletta; Parapini, Silvia; Morace, Giulia; Yardley, Vanessa; Croft, Simon; Coletta, Massimiliano; Marini, Stefano; Fattorusso, Caterina; Journal of Medicinal Chemistry; vol. 51; nb. 5; (2008); p. 1278 - 1294, View in Reaxys

2, R'=2-pyridyl

Zhu, Song-Lei; Ji, Shun-Jun; Zhao, Kai; Liu, Yu; Tetrahedron Letters; vol. 49; nb. 16; (2008); p. 2578 - 2582, View in Reaxys

2-pyridyl-CHO

De Araujo, Aline D.; Bacher, Edmond; Joachim Demnitz; Santos, Douglas A.; Heterocycles; vol. 51; nb. 1; (1999); p. 29 - 36, View in Reaxys; Kojima; Inai; Hidaka; Ohkata; Chemical Communications; nb. 18; (2000); p. 1795 1796, View in Reaxys; Nyerges; Fejes; Viranyi; Groundwater; Toeke; Synthesis; nb. 10; (2001); p. 1479 - 1482, View in Reaxys; Oehberg; Westman; Synlett; nb. 8; (2001); p. 1296 - 1298, View in Reaxys; Higashibayashi, Shuhei; Tohmiya, Hiraku; Mori, Tomonori; Hashimoto, Kimiko; Nakata, Masaya; Synlett; nb. 3; (2004); p. 457 - 460, View in Reaxys; Cordova, Armando; Chemistry - A European Journal; vol. 10; nb. 8; (2004); p. 1987 - 1997, View in Reaxys; Yoshizawa, Kazuhiro; Shioiri, Takayuki; Tetrahedron Letters; vol. 47; nb. 5; (2006); p. 757 - 761, View in Reaxys; Pare, Emily C.; Brook, David J. R.; Brieger, Aaron; Badik, Mick; Schinke, Marie; Organic and Biomolecular Chemistry; vol. 3; nb. 23; (2005); p. 4258 - 4261, View in Reaxys; Ukrainets; Sidorenko; Gorokhova; Jaradat; Chemistry of Heterocyclic Compounds; vol. 42; nb. 4; (2006); p. 475 - 487, View in Reaxys; Shi, Min; Liu, Ying-Hao; Organic and Biomolecular Chemistry; vol. 4; nb. 8; (2006); p. 1468 - 1470, View in Reaxys; Chen, Jiuxi; Wu, Dengze; He, Fei; Liu, Miaochang; Wu, Huayue; Ding, Jinchang; Su, Weike; Tetrahedron Letters; vol. 49; nb. 23; (2008); p. 3814 - 3818, View in Reaxys

R1CHO, R1=pyridin-2-yl

Kysil, Andriy I.; Voitenko, Zoia V.; Wolf, Jean-Gerard; Collection of Czechoslovak Chemical Communications; vol. 73; nb. 2; (2008); p. 247 - 257, View in Reaxys

T.1.,Prod. from Subs.11

Venkatesan; Kumar, A. Senthil; Zen; Tetrahedron Letters; vol. 49; nb. 28; (2008); p. 4339 - 4341, View in Reaxys

Sun, Shaoguang; Wang, Mang; Deng, Hongxia; Liu, Qun; Synthesis; nb. 4; (2008); p. 573 - 583, View in Reaxys

Compound 10; 10

Patent; David, Herve; Murguet, Nadege; US2008/263785; (2008); (A1) English, View in Reaxys

25A

Patent; SCHERING CORPORATION; WO2008/130584; (2008); (A1) English, View in Reaxys

Fleckenstein, Christoph A.; Kadyrov, Renat; Plenio, Herbert; Organic Process Research and Development; vol. 12; nb. 3; (2008); p. 475 - 479, View in Reaxys

2, o

Varala, Ravi; Nasreen, Aayesha; Enugala, Ramu; Adapa, Srinivas R.; Tetrahedron Letters; vol. 48; nb. 1; (2007); p. 69 - 72, View in Reaxys

educt to L

Karmakar, Ruma; Choudhury, Chirantan Roy; Batten, Stuart R.; Mitra, Samiran; Journal of Molecular Structure; vol. 826; nb. 2-3; (2007); p. 75 - 81, View in Reaxys

educt to 9

Podyachev; Litvinov; Shagidullin; Buzykin; Bauer; Osyanina; Avvakumova; Sudakova; Habicher; Konovalov; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 66; nb. 2; (2007); p. 250 - 261, View in Reaxys

Product, Tab.2, run 8

Jiang, Nan; Ragauskas, Arthur J.; Tetrahedron Letters; vol. 48; nb. 2; (2007); p. 273 - 276, View in Reaxys

R1CHO, educt of 4

Carballares, Santiago; Cifuentes, Marta M.; Stephenson, Gregory A.; Tetrahedron Letters; vol. 48; nb. 11; (2007); p. 2041 - 2045, View in Reaxys

2, R4=2-pyridyl

Nagao, Hitoshi; Yamane, Yoshinobu; Mukaiyama, Teruaki; Chemistry Letters; vol. 36; nb. 1; (2007); p. 8 - 9, View in Reaxys

1 (R%1& = 2-pyridyl)

Shaabani, Ahmad; Maleki, Ali; Monatshefte fur Chemie; vol. 138; nb. 1; (2007); p. 51 - 56, View in Reaxys

Bhalla, Vandana; Nagendra Babu; Kumar, Manoj; Hattori, Tetsutaro; Miyano, Sotaro; Tetrahedron Letters; vol. 48; nb. 9; (2007); p. 1581 - 1585, View in Reaxys

Yoshizawa, Kazuhiro; Shioiri, Takayuki; Tetrahedron; vol. 63; nb. 27; (2007); p. 6259 - 6286, View in Reaxys

Starting, Tab.1, run 34

Lim, Minkyung; Yoon, Cheol Min; An, Gwangil; Rhee, Hakjune; Tetrahedron Letters; vol. 48; nb. 22; (2007); p. 3835 - 3839, View in Reaxys

21/82

2018-04-04 14:10:34

starting to 1f, 1t

Srihari, Galla; Nagaraju, Manda; Murthy, Madugula Marthanda; Helvetica Chimica Acta; vol. 90; nb. 8; (2007); p. 1497 - 1504, View in Reaxys

Tsai, Kuo-Pei; Chen, Chung-Yuan; Environmental Toxicology and Chemistry; vol. 26; nb. 9; (2007); p. 1931 - 1939, View in Reaxys

2-PyCHO

Roussi, Fanny; Chauveau, Ariane; Bonin, Martine; Micouin, Laurent; Husson, Henri-Philippe; Synthesis; nb. 8; (2000); p. 1170 - 1179, View in Reaxys; Zhang, Yanmei; Santos, Ana M.; Herdtweck, Eberhardt; Mink, Janos; Kuehn, Fritz E.; New Journal of Chemistry; vol. 29; nb. 2; (2005); p. 366 - 370, View in Reaxys; Ishihara, Midori; Togo, Hideo; Synthesis; nb. 13; (2007); p. 1939 - 1942, View in Reaxys

Liu, Kegang; Haeussinger, Daniel; Woggon, Wolf-D.; Synlett; nb. 14; (2007); p. 2298 - 2300, View in Reaxys

Mamane, Victor; Aubert, Emmanuel; Fort, Yves; Journal of Organic Chemistry; vol. 72; nb. 19; (2007); p. 7294 7300, View in Reaxys

Fujieda, Hiroki; Usui, Shinya; Suzuki, Takayoshi; Nakagawa, Hidehiko; Ogura, Michitaka; Makishima, Makoto; Miyata, Naoki; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 15; (2007); p. 4351 - 4357, View in Reaxys

Wu, Song; Li, Zheng; Ren, Lige; Chen, Bo; Liang, Feng; Zhou, Xiang; Jia, Tao; Cao, Xiaoping; Bioorganic and Medicinal Chemistry; vol. 14; nb. 9; (2006); p. 2956 - 2965, View in Reaxys; Collis, Gavin E.; Burrell, Anthony K.; Blandford, Esther J.; Officer, David L.; Tetrahedron; vol. 63; nb. 45; (2007); p. 11141 - 11152, View in Reaxys

subs. tab 4, entry 3

Kantam, M. Lakshmi; Chakrapani; Ramani; Tetrahedron Letters; vol. 48; nb. 35; (2007); p. 6121 - 6123, View in Reaxys

table 4, entry 4

Ji, Hong-Bing; Yuan, Qiu-Lan; Zhou, Xian-Tai; Pei, Li-Xia; Wang, Le-Fu; Bioorganic and Medicinal Chemistry Letters; vol. 17; nb. 22; (2007); p. 6364 - 6368, View in Reaxys

educt to 1,5

Troisi, Luigino; Granito, Catia; Pindinelli, Emanuela; Ronzini, Ludovico; Heterocycles; vol. 71; nb. 6; (2007); p. 1381 - 1396, View in Reaxys

Liu, Xiaodong; Verkade, John G.; Journal of Organic Chemistry; vol. 65; nb. 15; (2000); p. 4560 - 4564, View in Reaxys; Stadler, Adrian-Mihail; Kyritsakas, Nathalie; Graff, Roland; Lehn, Jean-Marie; Chemistry - A European Journal; vol. 12; nb. 17; (2006); p. 4503 - 4522, View in Reaxys; Liu, Hui; Wu, Jing; Xu, Yun-Xiang; Jiang, Xi-Kui; Li, Zhan-Ting; Tetrahedron Letters; vol. 48; nb. 41; (2007); p. 7327 - 7331, View in Reaxys

Adamo, Mauro F.A.; Duffy, Eleanor F.; Konda, Vivekananda R.; Murphy, Finbar; Heterocycles; vol. 71; nb. 5; (2007); p. 1173 - 1181, View in Reaxys; Enders, Dieter; Grondal, Christoph; Vrettou, Marianna; Synthesis; nb. 21; (2006); p. 3597 - 3604, View in Reaxys

2, R2=2-pyridyl

Sun, Chang; Ji, Shun-Jun; Liu, Yu; Tetrahedron Letters; vol. 48; nb. 51; (2007); p. 8987 - 8989, View in Reaxys

table 3, entry 5

Liao, Bei-Sih; Chen, Jwu-Ting; Liu, Shiuh-Tzung; Synthesis; nb. 20; (2007); p. 3125 - 3128, View in Reaxys

RCHO; R = 2-Pyri- Luo, Sanzhong; Zheng, Xiaoxi; Xu, Hui; Mi, Xueling; Zhang, Long; Cheng, Jin-Pei; Advanced Synthesis and Catdinyl alysis; vol. 349; nb. 16; (2007); p. 2431 - 2434, View in Reaxys Table 2; Entry 14

Liu, Junhua; Wang, Fang; Sun, Kunpeng; Xu, Xianlun; Advanced Synthesis and Catalysis; vol. 349; nb. 16; (2007); p. 2439 - 2444, View in Reaxys

2-pyridinyl-CHO

Medebielle; Keirouz; Okada; Ashida; Synlett; nb. 6; (2001); p. 821 - 823, View in Reaxys; Ranu, Brindaban C.; Jana, Ranjan; European Journal of Organic Chemistry; nb. 16; (2006); p. 3767 - 3770, View in Reaxys

pyal

Nair, M. Sivasankaran; David, S. Theodore; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 308 309, View in Reaxys; Nair, M. Sivasankaran; David, S. Theodore; Joseyphus, R. Selwin; Journal of the Indian Chemical Society; vol. 83; nb. 9; (2006); p. 875 - 878, View in Reaxys

educt to 1

Majouga, Alexander G.; Beloglazkina, Elena K.; Vatsadze, Sergey Z.; Moiseeva, Anna A.; Moiseev, Fedor S.; Butin, Kim P.; Zyk, Nikolai V.; Mendeleev Communications; nb. 2; (2005); p. 48 - 50, View in Reaxys; Ciancaleoni, Gianluca; Bellachioma, Gianfranco; Cardaci, Giuseppe; Ricci, Giacomo; Ruzziconi, Renzo; Zuccaccia, Daniele; Macchioni, Alceo; Journal of Organometallic Chemistry; vol. 691; nb. 1-2; (2006); p. 165 - 173, View in Reaxys; Park, Wonchoul; Shin, Mi Hee; Chung, Jin Ho; Park, Jaejoon; Lah, Myoung Soo; Lim, Dongyeol; Tetrahedron Letters; vol. 47; nb. 50; (2006); p. 8841 - 8845, View in Reaxys

2, Z=2-pyridyl

Regnier, Thomas; Lavastre, Olivier; Tetrahedron; vol. 62; nb. 1; (2006); p. 155 - 159, View in Reaxys

Substrate,Tab.3, run Varala, Ravi; Enugala, Ramu; Nuvula, Sreelatha; Adapa, Srinivas R.; Tetrahedron Letters; vol. 47; nb. 6; (2006); p. 15 877 - 880, View in Reaxys Product, Tab.1, run 11

Velusamy, Subbarayan; Srinivasan, Arumugam; Punniyamurthy; Tetrahedron Letters; vol. 47; nb. 6; (2006); p. 923 - 926, View in Reaxys

substrate, tab 2/12

Sun, Wei; Yu, Bingsheng; Kuehn, Fritz E.; Tetrahedron Letters; vol. 47; nb. 12; (2006); p. 1993 - 1996, View in Reaxys

22/82

2018-04-04 14:10:34

ed. to 3, 5, 11

Britovsek, George J.P.; England, Jason; White, Andrew J.P.; Dalton Transactions; vol. 6; nb. 11; (2006); p. 1399 1408, View in Reaxys

aldehyde Tab. 1, e. 19

Gogoi, Pranjal; Konwar, Dilip; Tetrahedron Letters; vol. 47; nb. 1; (2006); p. 79 - 82, View in Reaxys

Tab 2/12 Educt

Mukaiyama, Teruaki; Kitazawa, Takayuki; Fujisawa, Hidehiko; Chemistry Letters; vol. 35; nb. 3; (2006); p. 328 329, View in Reaxys

sch1/c, start

Namli, Hilmi; Turhan, Onur; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 64; nb. 1; (2006); p. 93 - 100, View in Reaxys

2 (R2=2-pyridyl)

Salehi, Peyman; Dabiri, Minoo; Zolfigol, Mohammad Ali; Otokesh, Somayeh; Baghbanzadeh, Mostafa; Tetrahedron Letters; vol. 47; nb. 15; (2006); p. 2557 - 2560, View in Reaxys

educt to 4i

Kiselyov, Alexander S.; Smith II, Leon; Tetrahedron Letters; vol. 47; nb. 15; (2006); p. 2611 - 2614, View in Reaxys

educt to 2e

Evans, Paul; Johnson, Paul; Taylor, Richard J. K.; European Journal of Organic Chemistry; nb. 7; (2006); p. 1740 1754, View in Reaxys

educt to HL(tBuLC)

Shakya, Rajendra; Imbert, Camille; Hratchian, Hrant P.; Lanznaster, Mauricio; Heeg, Mary Jane; McGarvey, Bruce R.; Allard, Marco; Schlegel, H. Bernhard; Verani, Claudio N.; Dalton Transactions; nb. 21; (2006); p. 2517 2525, View in Reaxys

Tab. 1, entry 6

He, Zhengrong; Tang, Xiaofang; Chen, Yaoming; He, Zhengjie; Advanced Synthesis and Catalysis; vol. 348; nb. 4-5; (2006); p. 413 - 417, View in Reaxys

1a-1d

Boduszek, Bogdan; Olszewski, Tomasz; Goldeman, Waldemar; Konieczna, Magdalena; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 181; nb. 4; (2006); p. 787 - 795, View in Reaxys

educt to 2a

Mino, Takashi; Shirae, Yoshiaki; Yajima, Torn; Sakamoto, Masami; Fujita, Tsutomu; Heterocycles; vol. 68; nb. 6; (2006); p. 1233 - 1240, View in Reaxys

educt to Hpy-DAPP Matouzenko, Galina S.; Luneau, Dominique; Molnar, Gabor; Ould-Moussa, Nawell; Zein, Samir; Borshch, Serguei A.; Bousseksou, Azzedine; Averseng, Frederic; European Journal of Inorganic Chemistry; nb. 13; (2006); p. 2671 - 2682, View in Reaxys ArCHO, educt to 5

Porwal, Sharad; Kumar, Rishi; Maulik, Prakas R.; Chauhan, Prem M.S.; Tetrahedron Letters; vol. 47; nb. 33; (2006); p. 5863 - 5866, View in Reaxys

aldehyde to 24

Esteve, Cristina; Vidal, Bernat; Tetrahedron Letters; vol. 47; nb. 33; (2006); p. 5875 - 5877, View in Reaxys

product, tab 1/5

Hajipour; Bagheri; Ruoho; Russian Journal of Organic Chemistry; vol. 42; nb. 6; (2006); p. 844 - 848, View in Reaxys

aldehdye, tab 2/5

Dilman, Alexander D.; Gorokhov, Vladimir V.; Belyakov, Pavel A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.; Tetrahedron Letters; vol. 47; nb. 35; (2006); p. 6217 - 6219, View in Reaxys

2-pyridinecarbalde- Lonnon, David G.; Craig, Donald C.; Colbran, Stephen B.; Dalton Transactions; nb. 31; (2006); p. 3785 - 3797, hyde View in Reaxys substrate to 3

Kim, Su Jeong; Kool, Eric T.; Journal of the American Chemical Society; vol. 128; nb. 18; (2006); p. 6164 - 6171, View in Reaxys

Shaikh, Tanveer Mahammad Ali; Emmanuvel, Lourdusamy; Sudalai, Arumugam; Journal of Organic Chemistry; vol. 71; nb. 13; (2006); p. 5043 - 5046, View in Reaxys

8(9)

Werner, Stefan; Turner, David M.; Lyon, Michael A.; Huryn, Donna M.; Wipf, Peter; Synlett; nb. 14; (2006); p. 2334 - 2338, View in Reaxys

100

Waser, Jerome; Gaspar, Boris; Nambu, Hisanori; Carreira, Erick M.; Journal of the American Chemical Society; vol. 128; nb. 35; (2006); p. 11693 - 11712, View in Reaxys

educt to 1-6

Cardile, Steven A.; Jennings, Michael C.; Jones, Nathan D.; Dalton Transactions; nb. 39; (2006); p. 4672 - 4678, View in Reaxys

aldehyde, 5

Zhu, Jin; Pottorf, Richard S.; Player, Mark R.; Tetrahedron Letters; vol. 47; nb. 40; (2006); p. 7267 - 7270, View in Reaxys

educt1 to 12

Slater, Jonathan W.; Steel, Peter J.; Tetrahedron Letters; vol. 47; nb. 39; (2006); p. 6941 - 6943, View in Reaxys

aldehyde for 20

Savoia, Diego; Alvaro, Giuseppe; Di Fabio, Romano; Gualandi, Andrea; Fiorelli, Claudio; Journal of Organic Chemistry; vol. 71; nb. 25; (2006); p. 9373 - 9381, View in Reaxys

tabl.1,ent.13, aldehyde

Laitar, David S.; Tsui, Emily Y.; Sadighi, Joseph P.; Journal of the American Chemical Society; vol. 128; nb. 34; (2006); p. 11036 - 11037, View in Reaxys

educt to 4/5

Landaverry, Yakira R.; White, Kimberly N.; Olmstead, Marilyn M.; Einarsdottir, Oloef; Konopelski, Joseph P.; Heterocycles; vol. 70; (2006); p. 147 - 152, View in Reaxys

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1, Tab. 3, entry 43

Choudary, Boyapati M.; Mahendar, Koosam; Kantam, M. Lakshmi; Ranganath, Kalluri V. S.; Athar, Taimur; Advanced Synthesis and Catalysis; vol. 348; nb. 14; (2006); p. 1977 - 1985, View in Reaxys

Table 3, entry 10

Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 71; nb. 18; (2006); p. 7087 - 7090, View in Reaxys

7 R1=2-C5H4N

Heynekamp, Justin J.; Weber, Waylon M.; Hunsaker, Lucy A.; Gonzales, Amanda M.; Orlando, Robert A.; Deck, Lorraine M.; Vander Jagt, David L.; Journal of Medicinal Chemistry; vol. 49; nb. 24; (2006); p. 7182 - 7189, View in Reaxys

Kitade, Makoto; Tanaka, Hiroshi; Oe, Sho; Iwashima, Makoto; Iguchi, Kazuo; Takahashi, Takashi; Chemistry - A European Journal; vol. 12; nb. 5; (2006); p. 1368 - 1376, View in Reaxys

Dzvinchuk; Turov; Lozinskii; Chemistry of Heterocyclic Compounds; vol. 42; nb. 6; (2006); p. 798 - 802, View in Reaxys

7, R = 2-Pyr

Welle, Alexandre; Diez-Gonzalez, Silvia; Tinant, Bernard; Nolan, Steven P.; Riant, Olivier; Organic Letters; vol. 8; nb. 26; (2006); p. 6059 - 6062, View in Reaxys

Cheng, Chuanling; Wei, Siyu; Sun, Jian; Synlett; nb. 15; (2006); p. 2419 - 2422, View in Reaxys

educt table 3, entry 1

Kitazawa, Takayuki; Mukaiyama, Teruaki; Heterocycles; vol. 69; nb. 1; (2006); p. 417 - 427, View in Reaxys

pyridin-2-yl-CHO

Ukrainets; Sidorenko; Gorokhova; Shishkin; Turov; Chemistry of Heterocyclic Compounds; vol. 42; nb. 9; (2006); p. 1208 - 1222, View in Reaxys

Table 2. E.10. ArCHO

Fujioka, Hiromichi; Murai, Kenichi; Ohba, Yusuke; Hiramatsu, Atsushi; Kita, Yasuyuki; Tetrahedron Letters; vol. 46; nb. 13; (2005); p. 2197 - 2199, View in Reaxys

Substr.,Tab.1,run 17/37

Lin, Yu-Sheng; Liu, Chih-Wei; Tsai, Thomas Y. R.; Tetrahedron Letters; vol. 46; nb. 11; (2005); p. 1859 - 1861, View in Reaxys

aldehyde, entry 35

Guerbuez, Nevin; Oezdemir, Ismail; Cetinkaya, Bekir; Tetrahedron Letters; vol. 46; nb. 13; (2005); p. 2273 - 2277, View in Reaxys

tab.3 educt to 4o

Igarashi, Takeyuki; Inada, Takashi; Sekioka, Tadao; Nakajima, Takayuki; Shimizu, Isao; Chemistry Letters; vol. 34; nb. 1; (2005); p. 106 - 107, View in Reaxys

((Tab.2.run6))

Tsai, Weiwen; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung; Journal of Organometallic Chemistry; vol. 690; nb. 2; (2005); p. 415 - 421, View in Reaxys

5, R1 = 2-pyridyl, R2=H

Hajipour, Abdol R.; Bagheri, Hamid R.; Ruoho, Arnold E.; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 44; nb. 3; (2005); p. 577 - 580, View in Reaxys

aldehyde, Tab. 2, ent.2

Yang, Donglai; Fokas, Demosthenes; Li, Jingzhou; Yu, Libing; Baldino, Carmen M.; Synthesis; nb. 1; (2005); p. 47 - 56; Art.No: M02904SS, View in Reaxys

Tab.2. col.3. run 4

Ji, Hong-Bing; Shi, Dong-Po; Shao, Ming; Li, Zhong; Wang, Le-Fu; Tetrahedron Letters; vol. 46; nb. 14; (2005); p. 2517 - 2520, View in Reaxys

educt to 1,2

Vedder, Christoph; Schaper, Frank; Brintzinger, Hans-Herbert; Kettunen, Mika; Babik, Sebastian; Fink, Gerhard; European Journal of Inorganic Chemistry; nb. 6; (2005); p. 1071 - 1080, View in Reaxys

1, R = 2-pyridyl

Zhao, San-Hu; Bie, Hong-Yan; Chen, Zhao-Bin; Organic Preparations and Procedures International; vol. 37; nb. 3; (2005); p. 231 - 237, View in Reaxys

2-Pyridyl-CHO

Cheng, Ke; Zeng, Baiqing; Yu, Zhipeng; Gao, Bo; Feng, Xiaoming; Synlett; nb. 6; (2005); p. 1018 - 1020; Art.No: U01105ST, View in Reaxys

Storr, Tim; Cameron, Beth R.; Gossage, Robert A.; Yee, Helen; Skerlj, Renato T.; Darkes, Marilyn C.; Fricker, Simon P.; Bridger, Gary J.; Davies, Nathan A.; Wilson, Michael T.; Maresca, Kevin P.; Zubieta, Jon; European Journal of Inorganic Chemistry; nb. 13; (2005); p. 2685 - 2697, View in Reaxys

educt to If

Gein; Nosova; Potemkin; Aliev; Kriven'ko; Russian Journal of Organic Chemistry; vol. 41; nb. 7; (2005); p. 1016 1022, View in Reaxys

ArCHO, Ar=2-pyri- Ding, Ke; Wang, Guoping; Deschamps, Jeffrey R.; Parrish, Damon A.; Wang, Shaomeng; Tetrahedron Letters; vol. dinyl 46; nb. 35; (2005); p. 5949 - 5951, View in Reaxys Tab 2 Entry 6

Fujisawa, Hidehiko; Nagata, Yuzo; Sato, Yoshinori; Mukaiyama, Teruaki; Chemistry Letters; vol. 34; nb. 6; (2005); p. 842 - 843, View in Reaxys

IIIw

Gusak; Tereshko; Kozlov; Russian Journal of Organic Chemistry; vol. 41; nb. 5; (2005); p. 727 - 734, View in Reaxys; Gusak; Tereshko; Kozlov; Russian Journal of Organic Chemistry; vol. 40; nb. 11; (2004); p. 1662 - 1668, View in Reaxys

24/82

2018-04-04 14:10:34

Tiwari, Rakesh K.; Singh, Jaspal; Singh, Devender; Verma, Akhilesh K.; Chandra, Ramesh; Tetrahedron; vol. 61; nb. 40; (2005); p. 9513 - 9518, View in Reaxys

aldehyde for 5f

Dziedzic, Magdalena; Lipner, Grzegorz; Illangua, Jose M.; Furman, Bartlomiej; Tetrahedron; vol. 61; nb. 36; (2005); p. 8641 - 8647, View in Reaxys

aldehyde for 4

Azzena, Ugo; Dettori, Giovanna; Lubinu, Caterina; Mannu, Alberto; Pisano, Luisa; Tetrahedron; vol. 61; nb. 36; (2005); p. 8663 - 8668, View in Reaxys

Gogoi, Pranjal; Hazarika, Parasa; Konwar, Dilip; Journal of Organic Chemistry; vol. 70; nb. 5; (2005); p. 1934 1936, View in Reaxys

10i

Normand-Bayle, Marie; Benard, Christophe; Zouhiri, Fatima; Mouscadet, Jean-Francois; Leh, Herve; Thomas, Claire-Marie; Mbemba, Gladys; Desmaele, Didier; D'Angelo, Jean; Bioorganic and Medicinal Chemistry Letters; vol. 15; nb. 18; (2005); p. 4019 - 4022, View in Reaxys

educt to 13

Schwerkoske, John; Masquelin, Thierry; Perun, Tom; Hulme, Christopher; Tetrahedron Letters; vol. 46; nb. 48; (2005); p. 8355 - 8357, View in Reaxys

starting to L1

Banerjee, Sangeeta Ray; Zubieta, Jon; Acta Crystallographica Section C: Crystal Structure Communications; vol. 61; nb. 6; (2005); p. m275-m277, View in Reaxys

substrate to DPA*HCl

Thapper, Anders; Behrens, Axel; Fryxelius, Jacob; Johansson, Maria H.; Prestopino, Fabio; Czaun, Miklos; Rehder, Dieter; Nordlander, Ebbe; Dalton Transactions; nb. 21; (2005); p. 3566 - 3571, View in Reaxys

Scheme 3. substrate Hureau, Christelle; Anxolabehere-Mallart, Elodie; Blondin, Genevieve; Riviere, Eric; Nierlich, Martine; Europe2 an Journal of Inorganic Chemistry; nb. 23; (2005); p. 4808 - 4817, View in Reaxys aldehyde, tab 2/12

Feng, Lichun; Xu, Lijin; Lam, Kimhung; Zhou, Zhongyuan; Yip; Chan, Albert S.C.; Tetrahedron Letters; vol. 46; nb. 50; (2005); p. 8685 - 8689, View in Reaxys

2-C5H4NCHO

Strakova; Strakovs; Petrova; Chemistry of Heterocyclic Compounds; vol. 41; nb. 11; (2005); p. 1405 - 1410, View in Reaxys

10a

Nguyen, Jeffrey-Tri; Velazquez, Carlos A.; Knaus, Edward E.; Bioorganic and Medicinal Chemistry; vol. 13; nb. 5; (2005); p. 1725 - 1738, View in Reaxys

2-pyridylCHO

Yamazaki, Kazuo; Kondo, Yoshinori; Chemical Communications; nb. 3; (2002); p. 210 - 211, View in Reaxys; Varala, Ravi; Alam, M. Mujahid; Adapa, Srinivas R.; Synlett; nb. 1; (2003); p. 67 - 70, View in Reaxys; Hari, Yoshiyuki; Shoji, Yoshimichi; Aoyama, Toyohiko; Synthesis; nb. 8; (2004); p. 1183 - 1186, View in Reaxys

R2CHO, R2=2-pyr- Yamazaki, Kazuo; Nakamura, Yosuke; Kondo, Yoshinori; Journal of Organic Chemistry; vol. 68; nb. 15; (2003); p. idyl 6011 - 6019, View in Reaxys; Kang, Yong-Feng; Liu, Lei; Wang, Rui; Yan, Wen-Jin; Zhou, Yi-Feng; Tetrahedron Asymmetry; vol. 15; nb. 19; (2004); p. 3155 - 3159, View in Reaxys 11a

Kitbunnadaj, Ruengwit; Zuiderveld, Obbe P.; Christophe, Bernard; Hulscher, Saskia; Menge, Wiro M. P. B.; Gelens, Edith; Snip, Erwin; Bakker, Remko A.; Celanire, Sylvain; Gillard, Michel; Talaga, Patrice; Timmerman, Henk; Leurs, Rob; Journal of Medicinal Chemistry; vol. 47; nb. 10; (2004); p. 2414 - 2417, View in Reaxys

RCHO, entry 17

Ranu, Brindaban C.; Jana, Ranjan; Dey, Suvendu S.; Chemistry Letters; vol. 33; nb. 3; (2004); p. 274 - 275, View in Reaxys

RCHO, R = 2-pyridyl

Davies, Stephen G.; Hunter, Ian A.; Nicholson, Rebecca L.; Roberts, Paul. M.; Savory, Edward D.; Smith, Andrew D.; Tetrahedron; vol. 60; nb. 35; (2004); p. 7553 - 7577, View in Reaxys

Roppe, Jeffrey; Smith, Nicholas D.; Huang, Dehua; Tehrani, Lida; Wang, Bowei; Anderson, Jeffrey; Brodkin, Jesse; Chung, Janice; Jiang, Xiaohui; King, Christopher; Munoz, Benito; Varney, Mark A.; Prasit, Petpiboon; Cosford, Nicholas D. P.; Journal of Medicinal Chemistry; vol. 47; nb. 19; (2004); p. 4645 - 4648, View in Reaxys

27 (Ar=2-pyridyl)

Chern, Jyh-Haur; Shia, Kak-Shan; Hsu, Tsu-An; Tai, Chia-Liang; Lee, Chung-Chi; Lee, Yen-Chun; Chang, Chih-Shiang; Tseng, Sung-Nien; Shih, Shin-Ru; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 10; (2004); p. 2519 - 2525, View in Reaxys

1, R=2-pyridyl

Narsaiah, A. Venkat; Basak, A. K.; Nagaiah, K.; Synthesis; nb. 8; (2004); p. 1253 - 1256, View in Reaxys

tab1, aldehyde, entry21

Yadav; Praveen Kumar; Kondaji; Srinivasa Rao; Nagaiah; Chemistry Letters; vol. 33; nb. 9; (2004); p. 1168 - 1169, View in Reaxys

IIIu

Kozlov; Gusak; Tereshko; Firgang; Shashkov; Russian Journal of Organic Chemistry; vol. 40; nb. 8; (2004); p. 1181 1186, View in Reaxys

ArCHO, Ar=2-pyridyl

Dalili, Shadi; Caiazzo, Aldo; Yudin, Andrei K.; Journal of Organometallic Chemistry; vol. 689; nb. 22; (2004); p. 3604 - 3611, View in Reaxys

aldehyde to 15

Dinh, Nguyen Huu; Ly, Ngo Thi; Van, Le Thi Thanh; Journal of Heterocyclic Chemistry; vol. 41; nb. 6; (2004); p. 1015 - 1021, View in Reaxys

25/82

2018-04-04 14:10:34

Li, Qian; Lee, Jun-Seok; Ha, Chanki; Chan, Beum Park; Yang, Guang; Wen, Biao Gan; Chang, Young-Tae; Angewandte Chemie - International Edition; vol. 43; nb. 46; (2004); p. 6331 - 6335, View in Reaxys

Run 7, product

Kumar, Anil; Jain, Nidhi; Chauhan; Synthetic Communications; vol. 34; nb. 15; (2004); p. 2835 - 2842, View in Reaxys

substrate to H2L2

Kostova, Irena; Manolov, Ilia; Momekov, Georgi; European Journal of Medicinal Chemistry; vol. 39; nb. 9; (2004); p. 765 - 775, View in Reaxys

educt to 4

Punidha, Sokkalingam; Ravikanth, Mangalampalli; Tetrahedron; vol. 60; nb. 38; (2004); p. 8437 - 8444, View in Reaxys

product, tab. 1/12

Reddy, Sabbasani Rajasekhara; Das, Subhabrata; Punniyamurthy; Tetrahedron Letters; vol. 45; nb. 18; (2004); p. 3561 - 3564, View in Reaxys

start to 3

Wang, Wengui; Yu, Marvin; Tetrahedron Letters; vol. 45; nb. 38; (2004); p. 7141 - 7143, View in Reaxys

Tab. 2., Ent. 15, subs.

Huang, Wei; Song, Yuming; Bai, Changmin; Cao, Guoying; Zheng, Zhuo; Tetrahedron Letters; vol. 45; nb. 24; (2004); p. 4763 - 4767, View in Reaxys

tab.1. run 3 aldehyde

Chen, Shui-Ling; Ji, Shun-Jun; Loh, Teck-Peng; Tetrahedron Letters; vol. 45; nb. 2; (2004); p. 375 - 377, View in Reaxys

Tab. 2, entry 8

Anjaiah, Siddam; Chandrasekhar, Srivari; Gree, Rene; Advanced Synthesis and Catalysis; vol. 346; nb. 11; (2004); p. 1329 - 1334, View in Reaxys

Tab. 1, Ent. 8, ArCHO

Liu, Fuqiang; Palmer, David C.; Sorgi, Kirk L.; Tetrahedron Letters; vol. 45; nb. 9; (2004); p. 1877 - 1880, View in Reaxys

substrate T. 4, e. 1

Selvam, Parasuraman; Mohapatra, Susanta K.; Sonavane, Sachin U.; Jayaram, Radha V.; Tetrahedron Letters; vol. 45; nb. 9; (2004); p. 2003 - 2007, View in Reaxys

R3CHO, tab 3, entry 6

Tremblay-Morin, Jean-Philipe; Raeppel, Stephane; Gaudette, Frederic; Tetrahedron Letters; vol. 45; nb. 17; (2004); p. 3471 - 3474, View in Reaxys

RCHO, c

Brodbeck, Bernd; Puellmann, Bernd; Schmitt, Sebastien; Nettekoven, Matthias; Tetrahedron Letters; vol. 44; nb. 8; (2003); p. 1675 - 1678, View in Reaxys

PCA

Choudhary, Seema; Morrow, Janet R.; Angewandte Chemie - International Edition; vol. 41; nb. 21; (2002); p. 4096 4098, View in Reaxys; Jursic, Branko S.; Stevens, Edwin D.; Journal of Heterocyclic Chemistry; vol. 40; nb. 4; (2003); p. 701 - 706, View in Reaxys

educt of 7, 23

Simsek, Rahime; Safak, Cihat; Erol, Kevser; Ataman, Sule; Uelgen, Mert; Linden, Anthony; Arzneimittel-Forschung/Drug Research; vol. 53; nb. 3; (2003); p. 159 - 166, View in Reaxys

substr. entry 11

Sonavane, Sachin U.; Mohapatra, Susanta K.; Jayaram, Radha V.; Selvam, Parasuraman; Chemistry Letters; vol. 32; nb. 2; (2003); p. 142 - 143, View in Reaxys

educt to 11/12

Jursic, Branko S.; Neumann, Donna M.; Journal of Heterocyclic Chemistry; vol. 40; nb. 3; (2003); p. 465 - 474, View in Reaxys

educt to 8h

Iqbal, Mazhar; Evans, Paul; Tetrahedron Letters; vol. 44; nb. 30; (2003); p. 5741 - 5745, View in Reaxys

Table 1, Entry 6, subs.

Cordoba, Ruben; Plumet, Joaquin; Tetrahedron Letters; vol. 44; nb. 32; (2003); p. 6157 - 6159, View in Reaxys

RCHO Tab. 1., e. 3. Furman, Bartlomiej; Dziedzic, Magdalena; Tetrahedron Letters; vol. 44; nb. 35; (2003); p. 6629 - 6632, View in Reaxys to 2a

Montalvo-Gonzalez, Ruben; Ariza-Castolo, Armando; Journal of Molecular Structure; vol. 655; nb. 3; (2003); p. 375 - 389, View in Reaxys

educt (tab1 run7,15)

Zhang, Ze; Dong, Ya-Wei; Wang, Guan-Wu; Chemistry Letters; vol. 32; nb. 10; (2003); p. 966 - 967, View in Reaxys

ed to 7 Tab2 run11

Furman, Bartlomiej; Dziedzic, Magdalena; Tetrahedron Letters; vol. 44; nb. 45; (2003); p. 8249 - 8252, View in Reaxys

Table 2, aldehyde 2

Nakagawa, Takashi; Fujisawa, Hidehiko; Mukaiyama, Teruaki; Chemistry Letters; vol. 32; nb. 5; (2003); p. 462 463, View in Reaxys

Tab.2, substr., entry 2

Morton, Daniel; Pearson, David; Field, Robert A.; Stockman, Robert A.; Synlett; nb. 13; (2003); p. 1985 - 1988, View in Reaxys

educt to 2f

Hanamoto, Takeshi; Morita, Noriko; Shindo, Keiko; European Journal of Organic Chemistry; nb. 21; (2003); p. 4279 - 4285, View in Reaxys

2-Py-CHO

Ranft, Donald; Seyfarth, Torsten; Schaper, Klaus-Juergen; Lehwark-Yvetot, Gudrun; Bruhn, Clemens; Buege, Axel; Archiv der Pharmazie; vol. 332; nb. 12; (1999); p. 427 - 430, View in Reaxys; Wang; Feng; Cui; Liu; Jiang;

26/82

2018-04-04 14:10:34

Chemical Communications; nb. 17; (2000); p. 1605 - 1606, View in Reaxys; Nevalainen, Marta; Nevalainen, Vesa; Tetrahedron Asymmetry; vol. 12; nb. 12; (2001); p. 1771 - 1777, View in Reaxys; Kirilyuk, Igor A.; Shevelev, Tikhon G.; Morozov, Denis A.; Khromovskih, Ekaterina L.; Skuridin, Nikita G.; Khramtsov, Valery V.; Grigor'ev, Igor A.; Synthesis; nb. 6; (2003); p. 871 - 878, View in Reaxys starting to L1H

Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Woollard-Shore, John; Journal of the Chemical Society. Dalton Transactions; nb. 4; (2003); p. 748 - 754, View in Reaxys

Rosania, Gustavo R.; Lee, Jae Wook; Ding, Liang; Yoon, Hai-Shin; Chang, Young-Tae; Journal of the American Chemical Society; vol. 125; nb. 5; (2003); p. 1130 - 1131, View in Reaxys

Tab. 1, entry 10

Sreekanth, Pentlavalli; Kim, Sang-Wook; Hyeon, Taegwhan; Kim, B. Moon; Advanced Synthesis and Catalysis; vol. 345; nb. 8; (2003); p. 936 - 938, View in Reaxys

educt to 1h

Shi, Min; Jiang, Jian-Kang; Li, Chao-Qun; Tetrahedron Letters; vol. 43; nb. 1; (2002); p. 127 - 130, View in Reaxys

educt 1 to L2

Foxon, Simon P.; Walter, Olaf; Schindler, Siegfried; European Journal of Inorganic Chemistry; nb. 1; (2002); p. 111 121, View in Reaxys

20e

Grigg, Ronald; Sridharan, Visuvanathar; Thornton-Pett, Mark; Wang, Jun; Xu, Juan; Zhang, Jin; Tetrahedron; vol. 58; nb. 13; (2002); p. 2627 - 2640, View in Reaxys

α-pyridylCHO

Varlamov, Alexey; Kouznetsov, Vladimir; Zubkov, Fedor; Chernyshev, Alexey; Shurupova, Olga; Vargas Mendez, Leonor Y.; Palma Rodriguez, Alirio; Rivero Castro, Juliette; Rosas-Romero, Alfredo J.; Synthesis; nb. 6; (2002); p. 771 - 783, View in Reaxys

educt to 6c

Arai, Sadao; Yoda, Hiroe; Sato, Kiyoshi; Yamagishi, Takamichi; Journal of Heterocyclic Chemistry; vol. 39; nb. 2; (2002); p. 425 - 428, View in Reaxys

educt to 12

Jung, Christian M.; Kraus, Werner; Leibnitz, Peter; Pietzsch, Hans-Juergen; Kropp, Joachim; Spies, Hartmut; European Journal of Inorganic Chemistry; nb. 5; (2002); p. 1219 - 1225, View in Reaxys

educt 1 to 1

Kozhevnikov, Dmitry N.; Kozhevnikov, Valery N.; Nikitina, Tatiana V.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Neunhoeffer, Hans; Mendeleev Communications; vol. 12; nb. 1; (2002); p. 30 - 32, View in Reaxys

tab1, aldehyde, run1

Jursic, Branko S.; Douelle, Frederic; Bowdy, Katherine; Stevens, Edwin D.; Tetrahedron Letters; vol. 43; nb. 30; (2002); p. 5361 - 5365, View in Reaxys

aldehyde, Table 3/11

Fujisawa, Hidehiko; Mukaiyama, Teruaki; Chemistry Letters; nb. 2; (2002); p. 182 - 183, View in Reaxys

start. to comps, Tab 2

Jovanovic; Misic-Vukovic; Marinkovic; Vajs; Journal of Molecular Structure; vol. 642; nb. 1-3; (2002); p. 113 - 118, View in Reaxys

Kryshtal, Galina V.; Zhdankina, Galina M.; Zlotin, Sergei G.; Mendeleev Communications; vol. 12; nb. 5; (2002); p. 176 - 178, View in Reaxys

Py-2-CHO

Chaubey, Girija S.; Das, Simi; Mahanti, Mahendra K.; Heterocyclic Communications; vol. 8; nb. 5; (2002); p. 497 500, View in Reaxys

educt of 17

Mukaiyama, Teruaki; Fujisawa, Hidehiko; Nakagawa, Takashi; Helvetica Chimica Acta; vol. 85; nb. 12; (2002); p. 4518 - 4531, View in Reaxys

educt of 4

Jin, Myung-Jong; Kim, Sang-Han; Lee, Sang-Joon; Kim, Young-Mok; Tetrahedron Letters; vol. 43; nb. 41; (2002); p. 7409 - 7411, View in Reaxys

aldehyde,tab.1,entry 9

Lee, Adam Shih-Yuan; Chang, Yu-Ting; Wang, Shu-Huei; Chu, Shu-Fang; Tetrahedron Letters; vol. 43; nb. 47; (2002); p. 8489 - 8492, View in Reaxys

T1, aldehyde 3, 6, 12

Raghavan, Sadagopan; Anuradha, Kancharla; Tetrahedron Letters; vol. 43; nb. 29; (2002); p. 5181 - 5183, View in Reaxys

Het(Ar)CHO; 2pyridinyl

Yang, Guangfu; Jiang, Xiaohua; Yang, Huazheng; Pest Management Science; vol. 58; nb. 10; (2002); p. 1063 - 1067, View in Reaxys

4, R = 2-pyridyl

Yuan, Yu; Li, Xin; Ding, Kuiling; Organic Letters; vol. 4; nb. 19; (2002); p. 3309 - 3311, View in Reaxys

o-C5H4NCHO

McHugh, Callum J.; Smith, W. Ewen; Lacey, Richard; Graham, Duncan; Chemical Communications; nb. 21; (2002); p. 2514 - 2515, View in Reaxys

Patent; AVENTIS CROPSCIENCE S.A.; EP1178035; (2002); (A1) English, View in Reaxys

R3CHO, R3=2-pyr- Budzinska, Anna; Sas, Wojciech; Tetrahedron; vol. 57; nb. 10; (2001); p. 2021 - 2030, View in Reaxys idyl 26

Zhuang, Z.-P.; Kung, M.-P.; Hou, C.; Lee, C.-W.; Trojanowski, J. Q.; Lee, V. M.-Y.; Kung, H. F.; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 44; (2001); p. S236 - S238, View in Reaxys

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2018-04-04 14:10:34

educt of 28

Tempest, Paul; Ma, Vu; Kelly, Michael G.; Jones, Wyeth; Hulme, Christopher; Tetrahedron Letters; vol. 42; nb. 30; (2001); p. 4963 - 4968, View in Reaxys

starting to 1

Vargas Mendez, Leonor Y.; Kouznetsov, Vladimir; Stashenko, Elena; Bahsas, Al; Amaro-Luis, Juan; Heterocyclic Communications; vol. 7; nb. 4; (2001); p. 323 - 326, View in Reaxys

Gres'ko; Smolyar; Yutilov; Russian Journal of Organic Chemistry; vol. 37; nb. 7; (2001); p. 1026 - 1029, View in Reaxys

Table II, entry 17

Chakraborti; Kaur; Roy; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 40; nb. 10; (2001); p. 1000 - 1006, View in Reaxys

T.4, entry a

Chen, Peiran; Han, Shiqing; Lin, Guoqiang; Huang, Hao; Li, Zuyi; Tetrahedron Asymmetry; vol. 12; nb. 23; (2001); p. 3273 - 3279, View in Reaxys

aldehyde to XLIX

Gusak; Tereshko; Kozlov; Russian Journal of Organic Chemistry; vol. 37; nb. 10; (2001); p. 1495 - 1502, View in Reaxys

aldehyde for 21

Simsek; Safak; Erol; Sirmaguel; Arzneimittel-Forschung/Drug Research; vol. 51; nb. 12; (2001); p. 959 - 963, View in Reaxys

2-Pyr-CHO

Van Steenis, Jan Hein; Boer, Philip W. S.; Van Der Hoeven, Harald A.; Van Der Gen, Arne; European Journal of Organic Chemistry; nb. 5; (2001); p. 911 - 918, View in Reaxys

Yu; Liu; Hu; Journal of Organic Chemistry; vol. 66; nb. 16; (2001); p. 5413 - 5418, View in Reaxys

ketone to HL3

Pelagatti, Paolo; Carcelli, Mauro; Franchi, Francesca; Pelizzi, Corrado; Bacchi, Alessia; Fochi, Andrea; Fruehauf, Hans-Werner; Goubitz, Kees; Vrieze, Kees; European Journal of Inorganic Chemistry; nb. 3; (2000); p. 463 475, View in Reaxys

R1-CHO to 11, 13

Hulme, Christopher; Ma, Liang; Kumar, N. Vasant; Krolikowski, Paul H.; Allen, Andrew C.; Labaudiniere, Richard; Tetrahedron Letters; vol. 41; nb. 10; (2000); p. 1509 - 1514, View in Reaxys

R1-CHO to 30

Hulme, Christopher; Ma, Liang; Romano, Joseph J.; Morton, George; Tang, Sheng-Yuh; Cherrier, Marie-Pierre; Choi, Steve; Salvino, Joseph; Labaudiniere, Richard; Tetrahedron Letters; vol. 41; nb. 12; (2000); p. 1889 - 1893, View in Reaxys

aldehyde T. 1, e. 9-11

Oh, Heong Sub; Hahn, Hoh-Gyu; Cheon, Seung Hoon; Ha, Deok-Chan; Tetrahedron Letters; vol. 41; nb. 26; (2000); p. 5069 - 5072, View in Reaxys

11e

Sieber, Frank; Wentworth Jr., Paul; Janda, Kim D.; Molecules; vol. 5; nb. 8; (2000); p. 1018 - 1032, View in Reaxys

15h

Tobisu; Chatani; Asaumi; Amako; Ie; Fukumoto; Murai; Journal of the American Chemical Society; vol. 122; nb. 51; (2000); p. 12663 - 12674, View in Reaxys

275

Nicolaou; Pfefferkorn; Roecker; Cao; Barluenga; Mitchell; Journal of the American Chemical Society; vol. 122; nb. 41; (2000); p. 9939 - 9953, View in Reaxys

educt to 3

Borriello, Carmela; Ferrara, Maria L.; Orabona, Ida; Panunzi, Achille; Ruffo, Francesco; Journal of the Chemical Society, Dalton Transactions; nb. 15; (2000); p. 2545 - 2550, View in Reaxys; Morimoto; Yamaguchi; Suzuki; Saitoh; Tetrahedron Letters; vol. 41; nb. 51; (2000); p. 10025 - 10029, View in Reaxys

educt of 1

Solladie-Cavallo, Arlette; Roje, Marin; Isarno, Thomas; Sunjic, Vitomir; Vinkovic, Vladimir; European Journal of Organic Chemistry; nb. 6; (2000); p. 1077 - 1080, View in Reaxys

precursor of 4a

Jones; Palmer; Paul; Tiffin; Tetrahedron Letters; vol. 40; nb. 6; (1999); p. 1211 - 1214, View in Reaxys

2, R2=2-Py

Ono, Masashi; Nishimura, Katsumi; Nagaoka, Yasuo; Tomioka, Kiyoshi; Tetrahedron Letters; vol. 40; nb. 8; (1999); p. 1509 - 1512, View in Reaxys

educt to 2

Dai; Virgil; Tetrahedron Letters; vol. 40; nb. 7; (1999); p. 1245 - 1248, View in Reaxys

Table 1, col 2, entry Kernag, Casey A.; Bobbitt, James M.; McGrath, Dominic V.; Tetrahedron Letters; vol. 40; nb. 9; (1999); p. 1635 5 1636, View in Reaxys Table 1, run 9

Loh, Teck-Peng; Xu, Jia; Tetrahedron Letters; vol. 40; nb. 12; (1999); p. 2431 - 2434, View in Reaxys

7 Ar2=2-pyridinyl

Perrier, Helene; Bayly, Christopher; Laliberte, France; Huang, Zheng; Rasori, Roberta; Robichaud, Annette; Girard, Yves; Macdonald, Dwight; Bioorganic and Medicinal Chemistry Letters; vol. 9; nb. 3; (1999); p. 323 - 326, View in Reaxys

Table 3. Aldehyde 6

Loh, Teck-Peng; Li, Xu-Ran; European Journal of Organic Chemistry; nb. 8; (1999); p. 1893 - 1899, View in Reaxys

Table 1, Entry 8

Meshram; Sumithra; Reddy; Ganesh; Yadav; Synthetic Communications; vol. 29; nb. 16; (1999); p. 2807 - 2815, View in Reaxys

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R4CHO for 1a

Peng, Ge; Sohn, Amy; Gallop, Mark A.; Journal of Organic Chemistry; vol. 64; nb. 22; (1999); p. 8342 - 8349, View in Reaxys

start.,Sche.2,run2,c ol1

Loh, Teck-Peng; Zhou, Jian-Rong; Li, Xu-Ran; Tetrahedron Letters; vol. 40; nb. 52; (1999); p. 9333 - 9336, View in Reaxys

Garnovskii; Vasil'chenko; Eliseeva; Sousa; Sadimenko; Russian Journal of General Chemistry; vol. 69; nb. 9; (1999); p. 1473 - 1476, View in Reaxys

educt to 6k

Nunns, Claire L.; Spence, Lee A.; Slater, Martin J.; Berrisford, David J.; Tetrahedron Letters; vol. 40; nb. 52; (1999); p. 9341 - 9345, View in Reaxys

Jansone; Leite; Fleisher; Popelis; Mazheika; Lukevics; Melikyan; Avetisyan; Chemistry of Heterocyclic Compounds; vol. 34; nb. 3; (1998); p. 267 - 270, View in Reaxys

R1CHO R1=2-pyridyl

Kobayashi, Shu; Aoki, Yoji; Tetrahedron Letters; vol. 39; nb. 40; (1998); p. 7345 - 7348, View in Reaxys

R-CHO, R=2-pyridine

Gajare, A. S.; Bhawsar, S. B.; Shinde, D. B.; Shingare, M. S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 36; nb. 5; (1997); p. 449 - 452, View in Reaxys

Patent-Specific Data (34) Prophetic ComLocation in Patent pound prophetic product

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LogP

0.555

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

29.96

Lipinski Number

Veber Number

Related Structure (2) Related Structure References Barassin; Annales de Chimie (Cachan, France); vol. 8; nb. 13; (1963); p. 637,664, View in Reaxys; Drakenberg; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1976); p. 147, View in Reaxys E I 287;dort als αPyridinaldehyd bezeichnet.

Beilstein Handbook, View in Reaxys

Derivative (9)

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2018-04-04 14:10:34

Comment (Derivative)

References

2,4-Dinitrophenylhydrazon, F: 258-260grad

Cacchi et al.; Synthesis; (1979); p. 356, View in Reaxys

Methoiodid, F: 163grad, dagegen: Ginsburg, Wilson, J.Amer.Chem.Soc. 79 <1957> 481, F: 174grad

Crepaux; Lehn; Organic Magnetic Resonance; vol. 7; (1975); p. 524, View in Reaxys

Methoiodid, F: 163grad

Crepaux; Lehn; Organic Magnetic Resonance; vol. 7; (1975); p. 524, View in Reaxys

4',4'-Dimethylthiosemicabazon, F: 121-122grad

French et al.; Journal of Medicinal Chemistry; vol. 17; (1974); p. 172,179, View in Reaxys

4'-(Pyrid-2-yl)-thio- French et al.; Journal of Medicinal Chemistry; vol. 17; (1974); p. 172,179, View in Reaxys semicarbazon, F: 193-194grad 4'-n-Butylthiosemicarbazon, F: 145-146grad

French et al.; Journal of Medicinal Chemistry; vol. 17; (1974); p. 172,179, View in Reaxys

2'-Methylthiosemicarbazon, F: 174-175grad

French et al.; Journal of Medicinal Chemistry; vol. 17; (1974); p. 172,179, View in Reaxys

2,4-Dinitrophenylhydrazon, F: 227-229grad

Meyers,A.I. et al.; Journal of Organic Chemistry; vol. 38; (1973); p. 36 - 56, View in Reaxys

2,4-Dinitrophenylhydrazon, F: 260grad

Patent; Shulton, Inc.; US3435064; (1965); Chem.Abstr.; vol. 70; nb. 96483d; (1969), View in Reaxys

Boiling Point (26) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

179

Location

References

supporting informa- Cvrtila, Ivica; Fanlo-Virgós, Hugo; Schaeffer, Gaël; Monreal Santiago, tion Guillermo; Otto, Sijbren; Journal of the American Chemical Society; vol. 139; nb. 36; (2017); p. 12459 - 12465, View in Reaxys

63 - 65

12.9763

Paragraph 0052; 0067; 0082

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63 - 64

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181 - 182

Newkome et al.; Journal of the Chemical Society, Chemical Communications; (1974); p. 410, View in Reaxys

54 - 56

4.5

Lai Cheng; Ritchie; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1973); p. 1461, View in Reaxys

40 - 41

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60 - 61

Gregory et al.; Biochemistry; vol. 11; (1972); p. 4472,4476, View in Reaxys

76 - 78

Mamaev; Gracheva; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 7; (1971); p. 783; Khimiya Geterotsiklicheskikh Soedinenii; vol. 7; (1971); p. 838, View in Reaxys

66.5

Krueger; Krueger; Zeitschrift fuer Chemie (Stuttgart, Germany); vol. 10; (1970); p. 184,185, View in Reaxys

64 - 65

Biniecki; Bulacinski; Acta Poloniae Pharmaceutica; vol. 26; (1969); p. 101,106, View in Reaxys

Biniecki; Modrzejewska; Acta Poloniae Pharmaceutica; vol. 24; (1967); p. 559,561,563, View in Reaxys

74 - 76

Le Fevre; Stiles; Journal of the Chemical Society [Section] B: Physical Organic; (1966); p. 420, View in Reaxys

Biniecki; Gutkowska; Acta poloniae pharmaceutica; vol. 23; nb. 3; (1966); p. 201 - 206, View in Reaxys

181

760

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys; Callighan; Wilt; Journal of Organic Chemistry; vol. 26; (1961); p. 4912,4913, View in Reaxys; Patent; Nepera Chemical Co.; Inc.; US3274206; (1964); Chem.Abstr.; vol. 65; nb. 16947c; (1966), View in Reaxys

Kiprianow; Michailenko; Ukrainskii Khimicheskii Zhurnal (Russian Edition); vol. 30; (1964); p. 1309,1311, View in Reaxys

81.5

Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys

70 - 71

Nakaya; Nippon Kagaku Zasshi; vol. 81; (1960); p. 1731,1735; Chem.Abstr.; vol. 56; nb. 2275; (1962), View in Reaxys

Barassin; Lumbroso; Bulletin de la Societe Chimique de France; (1959); p. 1947,1948, View in Reaxys

82 - 83

Wibaut; Huls; Recueil des Travaux Chimiques des Pays-Bas; vol. 71; (1952); p. 1021,1025, View in Reaxys

62 - 63

13 - 14

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys; Lenart; Chemische Berichte; vol. 47; (1914); p. 808, View in Reaxys

70 - 71

16 - 17

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys

Refractive Index (10) Refractive Index Wavelength (ReTemperature (Refractive Index) [nm] fractive Index) [°C]

References

1.5389

589

18.5

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys; Callighan; Wilt; Journal of Organic Chemistry; vol. 26; (1961); p. 4912,4913, View in Reaxys

1.5308

656.3

Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys

1.5365

589

Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys

1.5519

486.1

Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys

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1.5657

430.8

Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys

1.5292

589

Nakaya; Nippon Kagaku Zasshi; vol. 81; (1960); p. 1731,1735; Chem.Abstr.; vol. 56; nb. 2275; (1962), View in Reaxys

1.5353

589

Barassin; Lumbroso; Bulletin de la Societe Chimique de France; (1959); p. 1947,1948, View in Reaxys

1.5328

656.3

18.5

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys

1.554

486.1

18.5

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys

1.5675

434

18.5

Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys

Density (8) 1 of 8

Density [g·cm-3]

1.118

Reference Temperature [°C]

Measurement Temperature 25 [°C] Ponomarenko, S. P.; Nikalaenko, T. K.; Makovetskii, V. P.; Borovikov, Yu. Ya.; Kukhar, V. P.; Russian Journal of General Chemistry; vol. 64; nb. 5.2; (1994); p. 735 - 739; Zhurnal Obshchei Khimii; vol. 64; nb. 5; (1994); p. 812 - 817, View in Reaxys 2 of 8

Density [g·cm-3]

1.126

Callighan; Wilt; Journal of Organic Chemistry; vol. 26; (1961); p. 4912,4913, View in Reaxys 3 of 8

Density [g·cm-3]

1.1201

Reference Temperature [°C]

Measurement Temperature 20 [°C] Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys 4 of 8

Density [g·cm-3]

1.1007

Reference Temperature [°C]

Measurement Temperature 40 [°C] Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys 5 of 8

Density [g·cm-3]

1.0847

Reference Temperature [°C]

Measurement Temperature 60 [°C] Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys 6 of 8

Density [g·cm-3]

1.0599

Reference Temperature [°C]

Measurement Temperature 85 [°C] Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys 7 of 8

Density [g·cm-3]

1.1181

Reference Temperature [°C]

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Measurement Temperature 25 [°C] Barassin; Lumbroso; Bulletin de la Societe Chimique de France; (1959); p. 1947,1948, View in Reaxys 8 of 8

Density [g·cm-3]

1.1255

Reference Temperature [°C]

Measurement Temperature 18.5 [°C] Harries; Lenart; Justus Liebigs Annalen der Chemie; vol. 410; (1915); p. 111, View in Reaxys; Lenart; Chemische Berichte; vol. 47; (1914); p. 808, View in Reaxys Adsorption (MCS) (2) 1 of 2

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

aluminium oxide

Zubareva, N. A.; Lygin, V. I.; Serazetdinov, A. D.; Russian Journal of Physical Chemistry; vol. 63; nb. 10; (1989); p. 1556 1559; Zhurnal Fizicheskoi Khimii; vol. 63; (1989); p. 2829 - 2832, View in Reaxys 2 of 2

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

aerosil

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

[D3]acetonitrile

Temperature (Association (MCS)) [°C]

Location

supporting information

Partner (Association (MCS))

methanesulfonic acid

You, Lei; Anslyn, Eric V.; Organic Letters; vol. 11; nb. 22; (2009); p. 5126 - 5129, View in Reaxys 2 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

(S)-2-{[1-Pyridin-2-yl-meth-(E)-ylidene]-amino}-pentanedioic acid

Nair, M. Sivasankaran; David, S. Theodore; Joseyphus, R. Selwin; Journal of the Indian Chemical Society; vol. 83; nb. 9; (2006); p. 875 - 878, View in Reaxys 3 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

(S)-2-{[1-Pyridin-2-yl-meth-(E)-ylidene]-amino}-pentanedioic acid

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Nair, M. Sivasankaran; David, S. Theodore; Joseyphus, R. Selwin; Journal of the Indian Chemical Society; vol. 83; nb. 9; (2006); p. 875 - 878, View in Reaxys 4 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

(S)-2-{[1-Pyridin-2-yl-meth-(E)-ylidene]-amino}-succinic acid

Nair, M. Sivasankaran; David, S. Theodore; Joseyphus, R. Selwin; Journal of the Indian Chemical Society; vol. 83; nb. 9; (2006); p. 875 - 878, View in Reaxys 5 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

L- threonine; L-glutamine

Nair, M. Sivasankaran; David, S. Theodore; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 308 - 309, View in Reaxys 6 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

L- threonine; L-glutamine

Nair, M. Sivasankaran; David, S. Theodore; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 308 - 309, View in Reaxys 7 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

L- threonine; L-glutamine

Nair, M. Sivasankaran; David, S. Theodore; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 308 - 309, View in Reaxys 8 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

L- threonine; L-glutamine

Nair, M. Sivasankaran; David, S. Theodore; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 308 - 309, View in Reaxys 9 of 15

Description (Association (MCS))

UV/VIS spectrum of the complex

Comment (Association (MCS))

pH dependence

Partner (Association (MCS))

L-glutamine

Nair, M. Sivasankaran; David, S. Theodore; Journal of the Indian Chemical Society; vol. 78; nb. 6; (2001); p. 308 - 309, View in Reaxys

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10 of 15

Description (Association (MCS))

NMR spectrum of the complex

Solvent (Association (MCS))

D2O

Partner (Association (MCS))

InCl3

Loh, Teck-Peng; Pei, Jian; Koh, Kevin Siong-Ve; Cao, Guo-Qiang; Li, Xu-Ran; Tetrahedron Letters; vol. 38; nb. 19; (1997); p. 3465 - 3468, View in Reaxys 11 of 15

Description (Association (MCS))

UV/VIS spectrum of the complex

Solvent (Association (MCS))

acetic acid

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

Co(II), Br(1-)

Antonova, V. V.; Bespalova, A. M.; Ustavshchikov, B. F.; Journal of Organic Chemistry USSR (English Translation); vol. 18; nb. 6; (1982); p. 1142 - 1146; Zhurnal Organicheskoi Khimii; vol. 18; nb. 6; (1982); p. 1315 - 1319, View in Reaxys 12 of 15

Description (Association (MCS))

Enthalpy of association

Solvent (Association (MCS))

acetic acid

Temperature (Association (MCS)) [°C]

20 - 80

Partner (Association (MCS))

Co(II), Br(1-)

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

acetonitrile

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

zinc perchlorate

Ohno, Atsuyoshi; Yasui, Shinro; Oka, Shinzaburo; Bulletin of the Chemical Society of Japan; vol. 53; nb. 9; (1980); p. 2651 2654, View in Reaxys 14 of 15

Description (Association (MCS))

Stability constant of the complex with ...

Sorriso et al.; Annali di Chimica (Rome, Italy); vol. 64; (1974); p. 747,749, View in Reaxys 15 of 15

Description (Association (MCS))

Spectrum of the complex

Sorriso et al.; Annali di Chimica (Rome, Italy); vol. 64; (1974); p. 747,749, View in Reaxys Chromatographic Data (2) Chromatographic Location data TLC (Thin layer chromatography)

References

supporting informa- Biswas, Manas Kumar; Patra, Sarat Chandra; Maity, Amarendra Nath; Ke, Shyue-Chu; tion Weyhermueller, Thomas; Ghosh, Prasanta; Chemical Communications; vol. 49; nb. 40; (2013); p. 4522 - 4524, View in Reaxys; Hong, Ja Min; Kim, Hong Yeong; Park, Hyunji; Chang, SukKyu; Tetrahedron Letters; vol. 56; nb. 48; (2015); p. 6782 - 6785, View in Reaxys; Tessarolo, Jacopo; Venzo, Alfonso; Bottaro, Gregorio; Armelao, Lidia; Rancan, Marzio; European Journal of Inorganic Chemistry; vol. 2017; nb. 1; (2017); p. 30 - 34, View in Reaxys

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GC (Gas chromatography)

supporting informa- Li, Zhi-Jun; Ding, San-Yuan; Xue, Hua-Dong; Cao, Wei; Wang, Wei; Chemical Communication tions; vol. 52; nb. 45; (2016); p. 7217 - 7220, View in Reaxys

Conformation (3) Object of Investiga- Comment (Confortion mation)

References

Conformation

Le Fevre; Stiles; Journal of the Chemical Society [Section] B: Physical Organic; (1966); p. 420, View in Reaxys; Karabatsos et al.; Journal of the American Chemical Society; vol. 85; (1963); p. 3886, View in Reaxys; Barassin et al.; Bulletin de la Societe Chimique de France; (1967); p. 4707, View in Reaxys; Danchura et al.; Canadian Journal of Chemistry; vol. 52; (1974); p. 3986,3987,3992, View in Reaxys; Hncherby; Tetrahedron Letters; (1971); p. 353,355, View in Reaxys; Lumbroso et al.; Journal of Molecular Structure; vol. 37; (1977); p. 127,131,136, View in Reaxys; Pietrzycki, Wladyslaw; Tomasik, Piotr; Sucharda-Sobczyk, Anna; Journal of Molecular Structure; vol. 73; (1981); p. 49 - 62, View in Reaxys

Energy difference between the conformers

Zverev; Journal of Structural Chemistry; vol. 13; (1972); p. 158, View in Reaxys; Bock et al.; Berichte der Bunsen-Gesellschaft; vol. 81; (1977); p. 615, View in Reaxys

Conformation

in Benzol.

Crystal Property Description (5) Colour & Other Location Properties

Barassin; Lumbroso; Bulletin de la Societe Chimique de France; (1959); p. 1947,1948, View in Reaxys References

yellow

Fernandes, Rodney A.; Bethi, Venkati; RSC Advances; vol. 4; nb. 76; (2014); p. 40561 - 40568, View in Reaxys; Ogiwara, Yohei; Ono, Yuji; Sakai, Norio; Synthesis (Germany); vol. 48; nb. 23; (2016); p. 4143 - 4148; Art.No: SS-2016-F0462-OP, View in Reaxys; Parua, Seuli; Das, Siuli; Sikari, Rina; Sinha, Suman; Paul, Nanda D.; Journal of Organic Chemistry; vol. 82; nb. 14; (2017); p. 7165 - 7175, View in Reaxys; Rajesh; Journal of Heterocyclic Chemistry; vol. 55; nb. 2; (2018); p. 486 - 491, View in Reaxys

yellow

supporting informa- Zhu, Chenjie; Zhang, Zhi; Ding, Weiwei; Xie, Jingjing; Chen, Yong; Wu, Jinglan; Chen, tion Xiaochun; Ying, Hanjie; Green Chemistry; vol. 16; nb. 3; (2014); p. 1131 - 1138, View in Reaxys; Zhan, Le-Wu; Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 17; nb. 24; (2015); p. 5990 - 5993, View in Reaxys; Zhen, Maomin; Peng, Yanqing; Organic and Biomolecular Chemistry; vol. 14; nb. 13; (2016); p. 3443 - 3449, View in Reaxys

colourless

supporting informa- Ueda, Tsuyoshi; Konishi, Hideyuki; Manabe, Kei; Angewandte Chemie - International Edition; tion vol. 52; nb. 33; (2013); p. 8611 - 8615; Angew. Chem.; vol. 125; nb. 33; (2013); p. 8773 - 8777,5, View in Reaxys; Wang, Zhao-Gang; Jin, Yong; Cao, Xiao-Hua; Lu, Ming; New Journal of Chemistry; vol. 38; nb. 9; (2014); p. 4149 - 4154, View in Reaxys

yellow

Velusamy, Subbarayan; Ahamed, Muneer; Punniyamurthy; Organic Letters; vol. 6; nb. 26; (2004); p. 4821 - 4824, View in Reaxys; Rout, Laxmidhar; Nath, Pinku; Punniyamurthy, Tharmalingam; Advanced Synthesis and Catalysis; vol. 349; nb. 6; (2007); p. 846 - 848, View in Reaxys

light-yellow

Velusamy, Subbarayan; Punniyamurthy; Organic Letters; vol. 6; nb. 2; (2004); p. 217 - 219, View in Reaxys; Gogoi, Pranjal; Hazarika, Parasa; Konwar, Dilip; Journal of Organic Chemistry; vol. 70; nb. 5; (2005); p. 1934 - 1936, View in Reaxys

Dissociation Exponent (15) 1 of 15

Dissociation Exponent (pK)

12.33

Temperature (Dissociation Exponent) [°C]

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b1/apparent

Baikalova; Gavrilova; Chipanina; Turchaninov; Russian Journal of General Chemistry; vol. 70; nb. 3; (2000); p. 436 - 441, View in Reaxys 2 of 15

Dissociation Exponent (pK)

6.5

Temperature (Dissociation Exponent) [°C]

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Solvent (Dissociation Exponent)

aq. ethanol

Type (Dissociation Exponent)

a1/apparent

Moscovici, Riva; Okano, Valkiria; Amaral, Antonia T. do; Amaral, Luciano do; Journal of Organic Chemistry; vol. 47; nb. 26; (1982); p. 5157 - 5160, View in Reaxys 3 of 15

Comment (Dissociation Exponent)

(pk')pK(2): 12.59, spektrophotometr.

Green; Rogerson; Australian Journal of Chemistry; vol. 21; (1968); p. 2427,2429, View in Reaxys 4 of 15

Comment (Dissociation Exponent)

(pk')pK(2): 12.59 (spektrophotometrisch)

Green; Rogerson; Australian Journal of Chemistry; vol. 21; (1968); p. 2427,2429, View in Reaxys 5 of 15

Comment (Dissociation Exponent)

(k')scheinbare Dissoziationskonst., potentiometrische Best., in 99.94percentig. Eg.

Wegmann; Simon; Helvetica Chimica Acta; vol. 45; (1962); p. 962,968, View in Reaxys 6 of 15

Comment (Dissociation Exponent)

(pk')pK(NH+) in W.: zwischen 5grad (4.13) u. 60grad (3.25)

Green; Freer; Journal of Physical Chemistry; vol. 65; (1961); p. 2211, View in Reaxys 7 of 15

Comment (Dissociation Exponent)

(pk')pK(a) in Eg.

Laviron; Bulletin de la Societe Chimique de France; (1961); p. 672, View in Reaxys 8 of 15

Dissociation Exponent (pK)

3.8

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Nakamoto; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 5857,5861, View in Reaxys 9 of 15

Dissociation Exponent (pK)

12.8

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a2/apparent

Nakamoto; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 5857,5861, View in Reaxys 10 of 15

Dissociation Exponent (pK)

4.09

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

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Type (Dissociation Exponent)

a1/thermodynamic

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 11 of 15

Dissociation Exponent (pK)

4.09

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/thermodynamic

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 12 of 15

Dissociation Exponent (pK)

3.5

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/thermodynamic

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 13 of 15

Dissociation Exponent (pK)

3.5

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a2/thermodynamic

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 14 of 15

Dissociation Exponent (pK)

3.93

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Tirouflet; Laviron; Ricerca Scientifica; vol. 29; (1959); p. Spl.A,Bd.4,S.189,198; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 274, View in Reaxys; Tirouflet; Laviron; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 247; (1958); p. 217; Ricerca Scientifica; vol. 29; (1959); p. Spl. A. Bd. 4, S. 189, 202, View in Reaxys 15 of 15

Dissociation Exponent (pK)

3.88

Solvent (Dissociation Exponent)

H2O

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Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Description (Electrical Da- Dielectric relaxation time ta) Knobloch; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 20; (1965); p. 854, View in Reaxys

Electrical Moment (7) 1 of 7

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

in Decahydronaphthalin, Temperaturabhaengigkeit

Bock et al.; Berichte der Bunsen-Gesellschaft; vol. 81; (1977); p. 615, View in Reaxys 2 of 7

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

μ, Tab. 3

John et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1977); p. 1601,1604, View in Reaxys 3 of 7

Description (Electrical Moment)

Dipole moment

Knobloch; Zeitschrift fuer Naturforschung, Teil A: Astrophysik, Physik und Physikalische Chemie; vol. 20; (1965); p. 854, View in Reaxys; Barassin et al.; Bulletin de la Societe Chimique de France; (1967); p. 4707, View in Reaxys; Lumbroso et al.; Journal of Molecular Structure; vol. 37; (1977); p. 127,131,136, View in Reaxys 4 of 7

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

Lai Cheng; Ritchie; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1973); p. 1461, View in Reaxys 5 of 7

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

α, in Bzl., 25grad: 3.55 D

Le Fevre; Stiles; Journal of the Chemical Society [Section] B: Physical Organic; (1966); p. 420, View in Reaxys 6 of 7

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

in Bzl.: 3.35 μ(D)

Barassin; Annales de Chimie (Cachan, France); vol. 8; nb. 13; (1963); p. 637,664, View in Reaxys 7 of 7

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

3.35

Temperature (Electrical Moment) [°C]

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Method (Electrical Moment)

Dielectric constant (α)

Solvent (Electrical Moment)

benzene

Barassin; Lumbroso; Bulletin de la Societe Chimique de France; (1959); p. 1947,1948, View in Reaxys Electrochemical Behaviour (5) Description (Elec- Comment (Electrotrochemical Behav- chemical Behaviour) iour)

References

Electrolytic dissociation / protonation equilibrium

Moscovici, Riva; Okano, Valkiria; Amaral, Antonia T. do; Amaral, Luciano do; Journal of Organic Chemistry; vol. 47; nb. 26; (1982); p. 5157 - 5160, View in Reaxys

Electrochemical properties

Bhatti; Brown; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 68; (1976); p. 85,88, View in Reaxys; Laviron; Bulletin de la Societe Chimique de France; (1961); p. 2325, View in Reaxys

Thermodynamic parameters for dissociation / protonation

Green; Freer; Journal of Physical Chemistry; vol. 65; (1961); p. 2211, View in Reaxys

Polarography

Nakaya; Nippon Kagaku Zasshi; vol. 81; (1960); p. 1731,1735; Chem.Abstr.; vol. 56; nb. 2275; (1962), View in Reaxys; Volke; Valenta; Collection of Czechoslovak Chemical Communications; vol. 25; (1960); p. 1580,1582, View in Reaxys; Laviron; Bulletin de la Societe Chimique de France; (1961); p. 2325, View in Reaxys

Electrolytic dissoci- Ueber Gleichgeation / protonation wichte der Hydratiequilibrium sierung, Protonierung und Dissoziation in wss. Loesung s..

Nakamoto; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 5857,5861, View in Reaxys; Tirouflet; Laviron; Ricerca Scientifica; vol. 29; (1959); p. Spl.A,Bd.4,S.189,198; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 274, View in Reaxys; Tirouflet; Laviron; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 247; (1958); p. 217; Ricerca Scientifica; vol. 29; (1959); p. Spl. A. Bd. 4, S. 189, 202, View in Reaxys

Electrochemical Characteristics (7) 1 of 7

Description (Electrochemical Characteristics)

cyclovoltammetry

Solvent (Electrochemical Characteristics)

acetonitrile

Location

supporting information

Comment (Electrochemical Characteristics)

potential diagram; 0.1 M tertbutylammonium perchlorate

Sunderland, James R.; Tao, Xingjian; Butrick, Elizabeth E.; Keilich, Lauren C.; Villa, Christine E.; Miecznikowski, John R.; Jain, Swapan S.; Polyhedron; vol. 114; (2016); p. 145 - 151, View in Reaxys 2 of 7

Description (Electrochemical Characteristics)

Electrochemical characteristics given

Location

supporting information

Finney, Eric E.; Ogawa, Kelli A.; Boydston, Andrew J.; Journal of the American Chemical Society; vol. 134; nb. 30; (2012); p. 12374 - 12377, View in Reaxys 3 of 7

Description (Electrochemical Characteristics)

polarographic half-wave potential

Solvent (Electrochemical Characteristics)

methanol

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochemical Characteristics)

-1.66 V; Product: /BRN= 184257/. No. of transm. electrons: 1. Method: pulse polarography. Description: sodium perchlorate; Ag/ 0.01 M AgNO3, dropping Hg electrode

Product

1,2-di(2-pyridyl)-1,2-ethanediol

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Shibata, Takuya; Kabumoto, Akira; Shiragami, Tsutomu; Ishitani, Osamu; Pac, Chyongjin; Yanagida, Shozo; Journal of Physical Chemistry; vol. 94; (1990); p. 2068 - 2076, View in Reaxys 4 of 7

Description (Electrochemical Characteristics)

polarographic half-wave potential

Solvent (Electrochemical Characteristics)

methanol

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochemical Characteristics)

1.71 V; Product: /BRN= 5501464/. No. of transm. electrons: 1. Method: polarography. Description: Ag/AgNO3, dropping Hg electrode

Product

C6H5NO(1-)

Ishitani, Osamu; Yanagida, Shozo; Takamuku, Setsuo; Pac, Chyongjin; Journal of Organic Chemistry; vol. 52; nb. 13; (1987); p. 2790 - 2796, View in Reaxys 5 of 7

Description (Electrochemical Characteristics)

polarographic half-wave potential

Solvent (Electrochemical Characteristics)

acetonitrile

Temperature (Electrochemical Characteristics) [°C]

Comment (Electrochemical Characteristics)

2.48 V; Product: /BRN= 5501464/. No. of transm. electrons: 1. Method: polarography. Description: Ag/AgNO3, dropping Hg electrode

Product

C6H5NO(1-)

Ishitani, Osamu; Yanagida, Shozo; Takamuku, Setsuo; Pac, Chyongjin; Journal of Organic Chemistry; vol. 52; nb. 13; (1987); p. 2790 - 2796, View in Reaxys 6 of 7

Description (Electrochemical Characteristics)

polarographic half-wave potential

Thevenot; Buvet; Journal of Electroanalytical Chemistry and Interfacial Electrochemistry; vol. 39; (1972); p. 429,431, View in Reaxys; Nakaya; Nippon Kagaku Zasshi; vol. 81; (1960); p. 1731,1735; Chem.Abstr.; vol. 56; nb. 2275; (1962), View in Reaxys; Rusling, James F.; Zuman, Petr; Analytical Chemistry; vol. 52; nb. 13; (1980); p. 2209 - 2211, View in Reaxys 7 of 7

Description (Electrochemical Characteristics)

polarographic current/voltage curve

Tirouflet et al.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 242; (1956); p. 1799, View in Reaxys; Preininger et al.; Collection of Czechoslovak Chemical Communications; vol. 23; (1958); p. 860,862, View in Reaxys; Volke; Experientia; vol. 13; (1957); p. 274, View in Reaxys; Volke; Collection of Czechoslovak Chemical Communications; vol. 23; (1958); p. 1486,1493, View in Reaxys; Tirouflet; Laviron; Ricerca Scientifica; vol. 29; (1959); p. Spl.A,Bd.4,S.189,198; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 246; (1958); p. 274, View in Reaxys Energy Barriers (1) References Drakenberg; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1976); p. 147, View in Reaxys Energy Data (MCS) (1) 1 of 1

Description (Energy Data (MCS))

Enthalpy of solution

Leitis et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 29; (1974); p. 483,484,485, View in Reaxys Further Information (6) Description (FurReferences ther Information) Further information Latas et al.; Chemical Physics Letters; vol. 65; (1979); p. 272,275, View in Reaxys Further information Sterk; Monatshefte fuer Chemie; vol. 102; (1971); p. 474,476, View in Reaxys Further information Sasaki; Suzuki; Chemical and Pharmaceutical Bulletin; vol. 17; (1969); p. 1778,1780, View in Reaxys

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2018-04-04 14:10:34

Further information Pocker; Meany; Journal of Physical Chemistry; vol. 72; (1968); p. 655, View in Reaxys Further information Leitis; Shimanskaya; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 3; (1967); p. 407; Khimiya Geterotsiklicheskikh Soedinenii; vol. 3; (1967); p. 507, View in Reaxys Further information Grandberg et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 2; (1966); p. 421,422; Khimiya Geterotsiklicheskikh Soedinenii; vol. 2; (1966); p. 561, View in Reaxys Ionization Potential (1) References Bruegel; Zeitschrift fuer Elektrochemie; vol. 66; (1962); p. 159,171, View in Reaxys; Basila; Clancy; Journal of Physical Chemistry; vol. 67; (1963); p. 1551,1552, View in Reaxys Liquid Phase (1) Description (Liquid References Phase) Liquid-crystalline properties

Conti et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 1673, View in Reaxys

Molecular Deformation (2) Description (MoComment (Molecu- References lecular Deformalar Deformation) tion) Fundamental vibrations

Schmid; Joeckle; Spectrochimica Acta; vol. 22; (1966); p. 1645,1648, View in Reaxys

Fundamental vibra- des Molekuels. tions

Chiorboli et al.; Annali di Chimica (Rome, Italy); vol. 48; (1958); p. 355,361, View in Reaxys

Optics (2) Description (Optics)

References

Electric birefringence (Kerr effect)

Le Fevre; Stiles; Journal of the Chemical Society [Section] B: Physical Organic; (1966); p. 420, View in Reaxys; Lai Cheng; Ritchie; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1973); p. 1461, View in Reaxys

Diffraction

Lai Cheng; Ritchie; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1973); p. 1461, View in Reaxys

Other Thermochemical Data (1) Description (Other References Thermochemical Data) Thermodynamic properties

Cabani et al.; Journal of the Chemical Society [Section] A: Inorganic, Physical, Theoretical; (1969); p. 1363, View in Reaxys

Solubility (MCS) (4) 1 of 4

Comment (Solubility (MCS))

soluble in magnetized water

Bakherad, Mohammad; Keivanloo, Ali; Gholizadeh, Mostafa; Doosti, Rahele; Javanmardi, Mohaddese; Research on Chemical Intermediates; vol. 43; nb. 2; (2017); p. 1013 - 1029, View in Reaxys 2 of 4

Comment (Solubility (MCS))

soluble in water

Kulchat, Sirinan; Chaur, Manuel N.; Lehn, Jean-Marie; Chemistry - A European Journal; vol. 23; nb. 46; (2017); p. 11108 11118, View in Reaxys 3 of 4

Comment (Solubility (MCS))

soluble in CHCl3 , THF

Manesh, Abbas Amini; Azarin, Khadijeh; Journal of the Serbian Chemical Society; vol. 81; nb. 2; (2016); p. 125 - 131, View in Reaxys 4 of 4

Comment (Solubility (MCS))

soluble in ethanol; insoluble in water

Bhattacharjee, Subham; Datta, Sougata; Bhattacharya, Santanu; Chemistry - A European Journal; vol. 19; nb. 49; (2013); p. 16672 - 16681, View in Reaxys Static Dielectric Constant (1)

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Static Dielectric Constant

Temperature (Static References Dielectric Constant) [°C]

Ponomarenko, S. P.; Nikalaenko, T. K.; Makovetskii, V. P.; Borovikov, Yu. Ya.; Kukhar, V. P.; Russian Journal of General Chemistry; vol. 64; nb. 5.2; (1994); p. 735 - 739; Zhurnal Obshchei Khimii; vol. 64; nb. 5; (1994); p. 812 - 817, View in Reaxys

Surface Tension (1) References Kyte et al.; Journal of the Chemical Society; (1960); p. 4454,4467, View in Reaxys NMR Spectroscopy (74) 1 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 300 scopy) [MHz] Rajesh; Journal of Heterocyclic Chemistry; vol. 55; nb. 2; (2018); p. 486 - 491, View in Reaxys 2 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 75.5 scopy) [MHz] Rajesh; Journal of Heterocyclic Chemistry; vol. 55; nb. 2; (2018); p. 486 - 491, View in Reaxys 3 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 400 scopy) [MHz] Chen, Li-Xia; Huang, Yin-Hui; Cong, Hang; Tao, Zhu; Chemical Papers; vol. 72; nb. 3; (2018); p. 661 - 667, View in Reaxys 4 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 100 scopy) [MHz] Chen, Li-Xia; Huang, Yin-Hui; Cong, Hang; Tao, Zhu; Chemical Papers; vol. 72; nb. 3; (2018); p. 661 - 667, View in Reaxys 5 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

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2018-04-04 14:10:34

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Sun, Hua-Yin; Hua, Qing; Guo, Feng-Feng; Wang, Zhi-Yong; Huang, Wei-Xin; Advanced Synthesis and Catalysis; vol. 354; nb. 4; (2012); p. 569 - 573, View in Reaxys; Zhan, Le-Wu; Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 17; nb. 24; (2015); p. 5990 - 5993, View in Reaxys; Parua, Seuli; Das, Siuli; Sikari, Rina; Sinha, Suman; Paul, Nanda D.; Journal of Organic Chemistry; vol. 82; nb. 14; (2017); p. 7165 - 7175, View in Reaxys 6 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] 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; Zhen, Maomin; Peng, Yanqing; Organic and Biomolecular Chemistry; vol. 14; nb. 13; (2016); p. 3443 - 3449, View in Reaxys 7 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Location

supporting information

Zhang, Yuecheng; Liu, Liu; Cao, Xiaohui; Zhao, Jiquan; Polyhedron; vol. 105; (2016); p. 170 - 177, View in Reaxys 8 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Zhen, Maomin; Peng, Yanqing; Organic and Biomolecular Chemistry; vol. 14; nb. 13; (2016); p. 3443 - 3449, View in Reaxys; Qi, Xinxin; Li, Chong-Liang; Wu, Xiao-Feng; Chemistry - A European Journal; vol. 22; nb. 17; (2016); p. 5835 - 5838, View in Reaxys; Ray, Ritwika; Chandra, Shubhadeep; Maiti, Debabrata; Lahiri, Goutam Kumar; Chemistry - A European Journal; vol. 22; nb. 26; (2016); p. 8814 - 8822, View in Reaxys 9 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

46/82

2018-04-04 14:10:34

Qi, Xinxin; Li, Chong-Liang; Wu, Xiao-Feng; Chemistry - A European Journal; vol. 22; nb. 17; (2016); p. 5835 - 5838, View in Reaxys 10 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Location

supporting information

Ray, Ritwika; Chandra, Shubhadeep; Maiti, Debabrata; Lahiri, Goutam Kumar; Chemistry - A European Journal; vol. 22; nb. 26; (2016); p. 8814 - 8822, View in Reaxys 11 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

22.54

Frequency (NMR Spectro- 300.1 scopy) [MHz] Location

supporting information

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 500.2 scopy) [MHz] Location

supporting information

Ogiwara, Yohei; Ono, Yuji; Sakai, Norio; Synthesis (Germany); vol. 48; nb. 23; (2016); p. 4143 - 4148; Art.No: SS-2016F0462-OP, View in Reaxys 13 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 125.8 scopy) [MHz] Location

supporting information

Ogiwara, Yohei; Ono, Yuji; Sakai, Norio; Synthesis (Germany); vol. 48; nb. 23; (2016); p. 4143 - 4148; Art.No: SS-2016F0462-OP, View in Reaxys 14 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

[D3]acetonitrile

47/82

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Temperature (NMR Spectroscopy) [°C]

24.84

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

supporting information

Wiley, Calvin A.; Holloway, Lauren R.; Miller, Tabitha F.; Lyon, Yana; Julian, Ryan. R.; Hooley, Richard J.; Inorganic Chemistry; vol. 55; nb. 19; (2016); p. 9805 - 9815, View in Reaxys 15 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

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

Paragraph 0009

Patent; Guizhou University; CONG, Hang; WANG, Fang; TAO, Zhu; (8 pag.); CN105732351; (2016); (A) Chinese, View in Reaxys 16 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Hanson, Susan K.; Wu, Ruilian; Silks, L. A. Pete; Organic Letters; vol. 13; nb. 8; (2011); p. 1908 - 1911, View in Reaxys; Yu, Bo; Zhao, Yanfei; Zhang, Hongye; Xu, Jilei; Hao, Leiduan; Gao, Xiang; Liu, Zhimin; Chemical Communications; vol. 50; nb. 18; (2014); p. 2330 - 2333, View in Reaxys 18 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz]

48/82

2018-04-04 14:10:34

Location

supporting information

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Motoyama, Yukihiro; Sakakura, Takatoshi; Takemoto, Toshihide; Shimozono, Kayoko; Aoki, Katsuyuki; Nishiyama, Hisao; Molecules; vol. 16; nb. 7; (2011); p. 5387 - 5401, View in Reaxys; Fernandes, Rodney A.; Bethi, Venkati; RSC Advances; vol. 4; nb. 76; (2014); p. 40561 - 40568, View in Reaxys 20 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 400 scopy) [MHz] Sarkar, Amrita; Bhattacharyya, Sudipta; Dey, Suman Kr; Karmakar, Subhendu; Mukherjee, Arindam; New Journal of Chemistry; vol. 38; nb. 2; (2014); p. 817 - 826, View in Reaxys 21 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

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 22 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

[D3]acetonitrile

Neelakandan, Prakash P.; Jimenez, Azucena; Nitschke, Jonathan R.; Chemical Science; vol. 5; nb. 3; (2014); p. 908 - 915, View in Reaxys 23 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

49/82

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

supporting information

Dharmalingam, Sivanesan; Koo, Eunhae; Yoon, Sungho; Park, Gyoosoon; Bulletin of the Korean Chemical Society; vol. 35; nb. 3; (2014); p. 715 - 720, View in Reaxys 24 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 16; nb. 13; (2014); p. 3428 - 3431, View in Reaxys 25 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 16; nb. 13; (2014); p. 3428 - 3431, View in Reaxys 26 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

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

supporting information

Wang, Zhao-Gang; Jin, Yong; Cao, Xiao-Hua; Lu, Ming; New Journal of Chemistry; vol. 38; nb. 9; (2014); p. 4149 - 4154, View in Reaxys 27 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

[D3]acetonitrile

Olivo, Giorgio; Arancio, Giorgio; Mandolini, Luigi; Lanzalunga, Osvaldo; Di Stefano, Stefano; Catalysis Science and Technology; vol. 4; nb. 9; (2014); p. 2900 - 2903, View in Reaxys 28 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

50/82

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Temperature (NMR Spectroscopy) [°C]

24.84

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

supporting information

Nguyen, Thanh Vinh; Hall, Michael; Tetrahedron Letters; vol. 55; nb. 50; (2014); p. 6895 - 6898, View in Reaxys 29 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

24.84

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

supporting information

Nguyen, Thanh Vinh; Hall, Michael; Tetrahedron Letters; vol. 55; nb. 50; (2014); p. 6895 - 6898, View in Reaxys 30 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Fernandes, Rodney A.; Bethi, Venkati; RSC Advances; vol. 4; nb. 76; (2014); p. 40561 - 40568, View in Reaxys 31 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Location

supporting information

Wang, Peng; Cai, Jin; Yang, Jiabin; Sun, Chunlong; Li, Lushen; Hu, Huayou; Ji, Min; Tetrahedron Letters; vol. 54; nb. 6; (2013); p. 533 - 535, View in Reaxys 32 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Location

supporting information

Wang, Peng; Cai, Jin; Yang, Jiabin; Sun, Chunlong; Li, Lushen; Hu, Huayou; Ji, Min; Tetrahedron Letters; vol. 54; nb. 6; (2013); p. 533 - 535, View in Reaxys 33 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

water-d2

51/82

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Frequency (NMR Spectro- 300 scopy) [MHz] Janicki, Rafal; Journal of Molecular Structure; vol. 1036; (2013); p. 35 - 41, View in Reaxys 34 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

21.6

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

supporting information

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Temperature (NMR Spectroscopy) [°C]

22.1

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

supporting information

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Hamasaki, Akiyuki; Kuwada, Hideyuki; Tokunaga, Makoto; Tetrahedron Letters; vol. 53; nb. 7; (2012); p. 811 - 814, View in Reaxys 37 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 150 scopy) [MHz] Location

supporting information

Hamasaki, Akiyuki; Kuwada, Hideyuki; Tokunaga, Makoto; Tetrahedron Letters; vol. 53; nb. 7; (2012); p. 811 - 814, View in Reaxys

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38 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Temperature (NMR Spectroscopy) [°C]

24.84

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

supporting information

Hirsch, Anna K. H.; Buhler, Eric; Lehn, Jean-Marie; Journal of the American Chemical Society; vol. 134; nb. 9; (2012); p. 4177 - 4183, View in Reaxys 39 of 74

Description (NMR Spectroscopy)

Chemical shifts; Spectrum

Nucleus (NMR Spectroscopy)

Location

supporting information

Rajabi, Fatemeh; Karimi, Nafiseh; Saidi, Mohammad Reza; Primo, Ana; Varma, Rajender S.; Luque, Rafael; Advanced Synthesis and Catalysis; vol. 354; nb. 9; (2012); p. 1707 - 1711, View in Reaxys 40 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Temperature (NMR Spectroscopy) [°C]

Buchs, Barbara; Fieber, Wolfgang; Drahonovsky, Dusan; Lehn, Jean-Marie; Herrmann, Andreas; Chemistry and Biodiversity; vol. 9; nb. 4; (2012); p. 689 - 701, View in Reaxys 41 of 74

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 400 scopy) [MHz] Original Text (NMR Spec- 1H NMR (400 MHz, CDCl3): α 10.08 (s, 1H), 8.79 (d, 1H, J=4.8 Hz), 7.97 (d, 2H, J=7.6 Hz), 7.88 (t, troscopy) 1H, J=7.6 Hz), 7.54-7.51 (m, 1H) Location

Page/Page column 8

Comment (NMR Spectroscopy)

Signals given

Signals [ppm]

10.08; 8.79; 7.97; 7.88; 7.51 - 7.54

Kind of signal

s, 1H; d, 1H, J=4.8 Hz; d, 2H, J=7.6 Hz; t, 1H, J=7.6 Hz; m, 1H

Patent; LOS ALAMOS NATIONAL SECURITY, LLC; US2012/232279; (2012); (A1) English, View in Reaxys 42 of 74

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

chloroform-d1

Frequency (NMR Spectro- 100 scopy) [MHz] Original Text (NMR Spectroscopy)

13C{1H}

Location

Page/Page column 8

Comment (NMR Spectroscopy)

Signals given

NMR (100 MHz, CDCl3): α 193.6, 153.0, 150.4, 137.3, 128.1, 121.9

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Signals [ppm]

193.6; 153; 150.4; 137.3; 128.1; 121.9

Patent; LOS ALAMOS NATIONAL SECURITY, LLC; US2012/232279; (2012); (A1) English, View in Reaxys 43 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

chloroform-d1

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

supporting information

Yin, Weili; Chu, Changhu; Lu, Qiongqiong; Tao, Jianwei; Liang, Xinmiao; Liu, Renhua; Advanced Synthesis and Catalysis; vol. 352; nb. 1; (2010); p. 113 - 118, View in Reaxys 44 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

[D3]acetonitrile

Temperature (NMR Spectroscopy) [°C]

Location

supporting information

You, Lei; Anslyn, Eric V.; Organic Letters; vol. 11; nb. 22; (2009); p. 5126 - 5129, View in Reaxys 45 of 74

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectroscopy)

CDCl3

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 200 scopy) [MHz] Mamane, Victor; Aubert, Emmanuel; Fort, Yves; Journal of Organic Chemistry; vol. 72; nb. 19; (2007); p. 7294 - 7300, View in Reaxys 47 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 200 scopy) [MHz]

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Mamane, Victor; Aubert, Emmanuel; Fort, Yves; Journal of Organic Chemistry; vol. 72; nb. 19; (2007); p. 7294 - 7300, View in Reaxys 48 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz] Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 71; nb. 18; (2006); p. 7087 - 7090, View in Reaxys; Liu, Shiuh-Tzung; Reddy, K. Venugopal; Lai, Rung-Yi; Tetrahedron; vol. 63; nb. 8; (2007); p. 1821 - 1825, View in Reaxys; Wang, Jianmin; Yan, Liang; Qian, Guang; Li, Shunqing; Yang, Keli; Liu, Haitao; Wang, Xiaolai; Tetrahedron; vol. 63; nb. 8; (2007); p. 1826 - 1832, View in Reaxys; Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 72; nb. 18; (2007); p. 7030 - 7033, View in Reaxys 49 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 400 scopy) [MHz] Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 71; nb. 18; (2006); p. 7087 - 7090, View in Reaxys; Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 72; nb. 18; (2007); p. 7030 - 7033, View in Reaxys 50 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 100 scopy) [MHz] Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 71; nb. 18; (2006); p. 7087 - 7090, View in Reaxys; Wang, Jianmin; Yan, Liang; Qian, Guang; Li, Shunqing; Yang, Keli; Liu, Haitao; Wang, Xiaolai; Tetrahedron; vol. 63; nb. 8; (2007); p. 1826 - 1832, View in Reaxys; Jiang, Nan; Ragauskas, Arthur J.; Journal of Organic Chemistry; vol. 72; nb. 18; (2007); p. 7030 - 7033, View in Reaxys 51 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Abraham, Raymond J.; Bedford, Geoffrey R.; Wright, Brian; Organic Magnetic Resonance; vol. 21; nb. 10; (1983); p. 637 642, View in Reaxys; Kinoshita; Ohishi; Journal of Heterocyclic Chemistry; vol. 31; nb. 6; (1994); p. 1599 - 1603, View in Reaxys; Niestroj, Michael; Neumann, Wilhelm P.; Chemische Berichte; vol. 129; nb. 1; (1996); p. 45 - 51, View in Reaxys; Rout, Laxmidhar; Nath, Pinku; Punniyamurthy, Tharmalingam; Advanced Synthesis and Catalysis; vol. 349; nb. 6; (2007); p. 846 - 848, View in Reaxys 52 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

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Cataviela, C.; Garcia, J. I.; Canadian Journal of Chemistry; vol. 68; nb. 9; (1990); p. 1477 - 1481, View in Reaxys; Cook, Iain B.; Australian Journal of Chemistry; vol. 42; nb. 9; (1989); p. 1493 - 1518, View in Reaxys; Rout, Laxmidhar; Nath, Pinku; Punniyamurthy, Tharmalingam; Advanced Synthesis and Catalysis; vol. 349; nb. 6; (2007); p. 846 - 848, View in Reaxys 53 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

trifluoroacetic acid

Temperature (NMR Spectroscopy) [°C]

Klumpp, Douglas A.; Zhang, Yiliang; Kindelin, Patrick J.; Lau, Siufu; Tetrahedron; vol. 62; nb. 25; (2006); p. 5915 - 5921, View in Reaxys 54 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

trifluoromethanesulfonic acid

Temperature (NMR Spectroscopy) [°C]

Klumpp, Douglas A.; Zhang, Yiliang; Kindelin, Patrick J.; Lau, Siufu; Tetrahedron; vol. 62; nb. 25; (2006); p. 5915 - 5921, View in Reaxys 55 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

fluorosulfonic acid

Temperature (NMR Spectroscopy) [°C]

-70

Comment (NMR Spectroscopy)

in the presence of inorganic compounds

Klumpp, Douglas A.; Zhang, Yiliang; Kindelin, Patrick J.; Lau, Siufu; Tetrahedron; vol. 62; nb. 25; (2006); p. 5915 - 5921, View in Reaxys 56 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

fluorosulfonic acid

Temperature (NMR Spectroscopy) [°C]

-80

Comment (NMR Spectroscopy)

in the presence of inorganic compounds

Klumpp, Douglas A.; Zhang, Yiliang; Kindelin, Patrick J.; Lau, Siufu; Tetrahedron; vol. 62; nb. 25; (2006); p. 5915 - 5921, View in Reaxys 57 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

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Frequency (NMR Spectro- 60 scopy) [MHz] Gogoi, Pranjal; Hazarika, Parasa; Konwar, Dilip; Journal of Organic Chemistry; vol. 70; nb. 5; (2005); p. 1934 - 1936, View in Reaxys 58 of 74

Nucleus (NMR Spectroscopy)

13C

Coupling Nuclei

13C; 1H

Solvents (NMR Spectroscopy)

CDCl3; CHCl3

Temperature (NMR Spectroscopy) [°C]

Frequency (NMR Spectro- 125.76 scopy) [MHz] Taurian, Oscar E.; De Kowalewski, Dora G.; Perez, Jorge E.; Contreras, Ruben H.; Journal of Molecular Structure; vol. 754; nb. 1-3; (2005); p. 1 - 9, View in Reaxys 59 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 300 scopy) [MHz] Velusamy, Subbarayan; Punniyamurthy; Organic Letters; vol. 6; nb. 2; (2004); p. 217 - 219, View in Reaxys; Velusamy, Subbarayan; Ahamed, Muneer; Punniyamurthy; Organic Letters; vol. 6; nb. 26; (2004); p. 4821 - 4824, View in Reaxys 60 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Frequency (NMR Spectro- 75.5 scopy) [MHz] Velusamy, Subbarayan; Punniyamurthy; Organic Letters; vol. 6; nb. 2; (2004); p. 217 - 219, View in Reaxys; Velusamy, Subbarayan; Ahamed, Muneer; Punniyamurthy; Organic Letters; vol. 6; nb. 26; (2004); p. 4821 - 4824, View in Reaxys 61 of 74

Description (NMR Spectroscopy)

Spectrum

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

D2O

Frequency (NMR Spectro- 300 scopy) [MHz] Loh, Teck-Peng; Feng, Li-Chun; Wei, Lin-Li; Tetrahedron; vol. 56; nb. 37; (2000); p. 7309 - 7312, View in Reaxys 62 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Frequency (NMR Spectro- 300 scopy) [MHz]

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Dyker, Gerald; Hoelzer, Bettina; Tetrahedron; vol. 55; nb. 43; (1999); p. 12557 - 12562, View in Reaxys 63 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

D2O

Loh, Teck-Peng; Pei, Jian; Koh, Kevin Siong-Ve; Cao, Guo-Qiang; Li, Xu-Ran; Tetrahedron Letters; vol. 38; nb. 19; (1997); p. 3465 - 3468, View in Reaxys 64 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectroscopy)

benzene-d6

Wrackmeyer, Bernd; Kehr, Gerald; Zeitschrift fuer Naturforschung, B: Chemical Sciences; vol. 48; nb. 10; (1993); p. 1433 1436, View in Reaxys 65 of 74

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

benzene-d6

Comment (NMR Spectroscopy)

1H-13C.

Wrackmeyer, Bernd; Kehr, Gerald; Zeitschrift fuer Naturforschung, B: Chemical Sciences; vol. 48; nb. 10; (1993); p. 1433 1436, View in Reaxys 66 of 74

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

benzene-d6

Comment (NMR Spectroscopy)

13C-15N, 1H-15N.

Wrackmeyer, Bernd; Kehr, Gerald; Zeitschrift fuer Naturforschung, B: Chemical Sciences; vol. 48; nb. 10; (1993); p. 1433 1436, View in Reaxys 67 of 74

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectroscopy)

dimethylsulfoxide

Staedeli, W.; Philipsborn, W. von; Organic Magnetic Resonance; vol. 15; nb. 1; (1981); p. 106 - 110, View in Reaxys 68 of 74

Description (NMR Spectroscopy)

NMR

Retcofsky; Friedel; Journal of Physical Chemistry; vol. 72; (1968); p. 2619, View in Reaxys; Zanger; Simons; Analytical Chemistry; vol. 46; (1974); p. 2042, View in Reaxys; Witanowski et al.; Molecular Physics; vol. 23; (1972); p. 1071,1073, View in Reaxys; Alvarez et al.; Journal of the American Chemical Society; vol. 96; (1974); p. 7686, View in Reaxys; Miyajima et al.; Chemical and Pharmaceutical Bulletin; vol. 20; (1972); p. 429, View in Reaxys; Syrova; Sheinker; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 8; (1972); p. 313; Khimiya Geterotsiklicheskikh Soedinenii; vol. 8; (1972); p. 345, View in Reaxys; Contreras; Kowalewski; Journal of Molecular Structure; vol. 23; (1974); p. 209,213, View in Reaxys; Karabatsos et al.; Journal of the American Chemical Society; vol. 85; (1963); p. 3886, View in Reaxys; Drakenberg; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1976); p. 147, View in Reaxys; Lunazzi et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1976); p. 1791, View in Reaxys; Danchura et al.; Canadian Journal of Chemistry; vol. 52; (1974); p. 3986,3987,3992, View in Reaxys; Dvoryantseva et al.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1968); p. 951,952; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; (1968); p. 994, View in Reaxys

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69 of 74

Description (NMR Spectroscopy)

NMR in liquid-crystal phase

Conti et al.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); (1975); p. 1673, View in Reaxys 70 of 74

Description (NMR Spectroscopy)

Chemical shifts

Comment (NMR Spectroscopy)

1H, α

Hncherby; Tetrahedron Letters; (1971); p. 353,355, View in Reaxys 71 of 74

Description (NMR Spectroscopy)

Spin-spin coupling constants

Bramwell; Randall; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 26; (1970); p. 1877,1879, View in Reaxys; Yamamoto et al.; Molecular Physics; vol. 17; (1969); p. 249,252, View in Reaxys 72 of 74

Description (NMR Spectroscopy)

Spectrum

Sasaki; Suzuki; Chemical and Pharmaceutical Bulletin; vol. 17; (1969); p. 1778,1780, View in Reaxys 73 of 74

Description (NMR Spectroscopy)

Spectrum

Comment (NMR Spectroscopy)

variat. v. Lsgm. u. Temp., S. 926

Cabani et al.; Gazzetta Chimica Italiana; vol. 98; (1968); p. 923,927, View in Reaxys 74 of 74

Description (NMR Spectroscopy)

Chemical shifts

Comment (NMR Spectroscopy)

14N, in Ae.

Herbison-Evans; Richards; Molecular Physics; vol. 8; (1964); p. 19,26, View in Reaxys IR Spectroscopy (21) 1 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat liquid

Velusamy, Subbarayan; Punniyamurthy; Organic Letters; vol. 6; nb. 2; (2004); p. 217 - 219, View in Reaxys; Velusamy, Subbarayan; Ahamed, Muneer; Punniyamurthy; Organic Letters; vol. 6; nb. 26; (2004); p. 4821 - 4824, View in Reaxys; Rout, Laxmidhar; Nath, Pinku; Punniyamurthy, Tharmalingam; Advanced Synthesis and Catalysis; vol. 349; nb. 6; (2007); p. 846 - 848, View in Reaxys; Rajesh; Journal of Heterocyclic Chemistry; vol. 55; nb. 2; (2018); p. 486 - 491, View in Reaxys 2 of 21

Description (IR Spectroscopy)

Spectrum

Location

supporting information

Bussey, Katherine A.; Cavalier, Annie R.; Mraz, Margaret E.; Oshin, Kayode D.; Sarjeant, Amy; Pintauer, Tomislav; Polyhedron; vol. 114; (2016); p. 256 - 267, View in Reaxys 3 of 21

Description (IR Spectroscopy)

Bands; Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Buvaylo, Elena A.; Kokozay, Vladimir N.; Linnik, Rostyslav P.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Dalton Transactions; vol. 44; nb. 30; (2015); p. 13735 - 13744, View in Reaxys 4 of 21

Description (IR Spectroscopy)

Intensity of IR bands

Seth-Paul,W.A.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 30; (1974); p. 1817 - 1833, View in Reaxys; Schmid; Joeckle; Spectrochimica Acta; vol. 22; (1966); p. 1645,1648, View in Reaxys; Joeckle; Mecke; Berichte der Bunsen-Gesellschaft; vol. 71; (1967); p. 165,167, View in Reaxys; Ohno, Keiichi; Itoh, Takao; Yokota, Chiyumi; Katsumoto, Yukiteru; Journal of Molecular Structure; vol. 825; nb. 1-3; (2006); p. 143 - 150, View in Reaxys 5 of 21

Description (IR Spectroscopy)

Spectrum

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Solvent (IR Spectroscopy)

CHCl3

Namli, Hilmi; Turhan, Onur; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 64; nb. 1; (2006); p. 93 - 100, View in Reaxys 6 of 21

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

solid Ar

Temperature (IR Spectroscopy) [°C]

-258.15

Ohno, Keiichi; Itoh, Takao; Yokota, Chiyumi; Katsumoto, Yukiteru; Journal of Molecular Structure; vol. 825; nb. 1-3; (2006); p. 143 - 150, View in Reaxys 7 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

solid Ar

Ohno, Keiichi; Itoh, Takao; Yokota, Chiyumi; Katsumoto, Yukiteru; Journal of Molecular Structure; vol. 825; nb. 1-3; (2006); p. 143 - 150, View in Reaxys 8 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Gogoi, Pranjal; Hazarika, Parasa; Konwar, Dilip; Journal of Organic Chemistry; vol. 70; nb. 5; (2005); p. 1934 - 1936, View in Reaxys 9 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

2950 - 620 cm**(-1)

Niestroj, Michael; Neumann, Wilhelm P.; Chemische Berichte; vol. 129; nb. 1; (1996); p. 45 - 51, View in Reaxys 10 of 21

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

1663 cm**(-1)

Mueller, Bodo; Ruf, Michael; Vahrenkamp, Heinrich; Angewandte Chemie; vol. 106; nb. 20; (1994); p. 2164 - 2165, View in Reaxys 11 of 21

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

3800 - 1690 cm**(-1)

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1712 cm**(-1)

Kolb, Vera M.; Stupar, Joseph W.; Janota, Timothy E.; Duax, William L.; Journal of Organic Chemistry; vol. 54; nb. 10; (1989); p. 2341 - 2346, View in Reaxys 13 of 21

Description (IR Spectroscopy)

Bands

Comment (IR Spectroscopy)

1712 - 610 cm**(-1)

Goher, M. A. S.; Hasanein, A. A.; Soliman, S. M.; Bulletin de la Societe Chimique de France; vol. 1; nb. 5-6; (1984); p. 169 171, View in Reaxys

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14 of 21

Description (IR Spectroscopy)

Perjessy; Tetrahedron; vol. 29; (1973); p. 3189,3193, View in Reaxys; Vasireddi; Ramachandra Rao; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 311, View in Reaxys; Abe et al.; Bulletin of the Chemical Society of Japan; vol. 50; (1977); p. 2028,2031, View in Reaxys; Miller et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 23; (1967); p. 891,894, View in Reaxys; Stratton; Busch; Journal of the American Chemical Society; vol. 82; (1960); p. 4834,4837, View in Reaxys; Tripathi; Tripathi; Indian Journal of Physics, B; vol. 53; (1979); p. 130, View in Reaxys; Padhye; Jahagirdar; Indian Journal of Pure and Applied Physics; vol. 14; (1976); p. 246, View in Reaxys; Green; Harrison; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 33; (1977); p. 75,78, View in Reaxys; Heinert; Martell; Journal of the American Chemical Society; vol. 84; (1962); p. 3257, View in Reaxys; Forrest et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 32; (1976); p. 511,517, View in Reaxys 15 of 21

Description (IR Spectroscopy)

Spectrum

Schmid; Joeckle; Spectrochimica Acta; vol. 22; (1966); p. 1645,1648, View in Reaxys; Callighan; Wilt; Journal of Organic Chemistry; vol. 26; (1961); p. 4912,4913, View in Reaxys; Isaac et al.; Applied Spectroscopy; vol. 17; (1963); p. 90,93, View in Reaxys; Heinert; Martell; Journal of the American Chemical Society; vol. 84; (1962); p. 3257, View in Reaxys 16 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3445 - 1720 cm**(-1)

Heinert; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 3936,3943, View in Reaxys 17 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1720 - 760 cm**(-1)

Heinert; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 3936,3943, View in Reaxys 18 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

2980 - 990 cm**(-1)

Katritzky; Hands; Journal of the Chemical Society; (1958); p. 2202, View in Reaxys 19 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

2830 - 830 cm**(-1)

Katritzky et al.; Journal of the Chemical Society; (1958); p. 2182,2185, 3165, View in Reaxys 20 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent)

Comment (IR Spectroscopy)

1750 - 400 cm**(-1)

Chiorboli et al.; Annali di Chimica (Rome, Italy); vol. 48; (1958); p. 355,361, View in Reaxys 21 of 21

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CS2

Comment (IR Spectroscopy)

1720 - 760 cm**(-1)

Shindo; Pharmaceutical Bulletin; vol. 5; (1957); p. 472,473, View in Reaxys

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Mass Spectrometry (10) Description (Mass Location Spectrometry)

References

electron impact (EI); spectrum

Ogiwara, Yohei; Ono, Yuji; Sakai, Norio; Synthesis (Germany); vol. 48; nb. 23; (2016); p. 4143 - 4148; Art.No: SS-2016-F0462-OP, View in Reaxys; Rajesh; Journal of Heterocyclic Chemistry; vol. 55; nb. 2; (2018); p. 486 - 491, View in Reaxys

electrospray ionisation (ESI); spectrum

Chen, Li-Xia; Huang, Yin-Hui; Cong, Hang; Tao, Zhu; Chemical Papers; vol. 72; nb. 3; (2018); p. 661 - 667, View in Reaxys

gas chromatograsupporting informa- Qi, Xinxin; Li, Chong-Liang; Wu, Xiao-Feng; Chemistry - A European Journal; vol. 22; nb. 17; phy mass spectrom- tion (2016); p. 5835 - 5838, View in Reaxys etry (GCMS); electron impact (EI); spectrum gas chromatograsupporting informa- Vadakkekara, Raji; Biswas, Abul Kalam; Sahoo, Tapan; Pal, Provas; Ganguly, Bishwajit; phy mass spectrom- tion Ghosh, Subhash Chandra; Panda, Asit Baran; Chemistry - An Asian Journal; vol. 11; nb. 21; etry (GCMS); spec(2016); p. 3084 - 3089, View in Reaxys trum electrospray ionisa- supporting informa- Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 16; nb. 13; (2014); p. 3428 - 3431, tion (ESI); spection View in Reaxys; Zhan, Le-Wu; Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 17; nb. trum 24; (2015); p. 5990 - 5993, View in Reaxys high resolution mass spectrometry (HRMS); electron impact (EI); fragmentation pattern; spectrum

supporting informa- Han, Lei; Xing, Ping; Jiang, Biao; Organic Letters; vol. 16; nb. 13; (2014); p. 3428 - 3431, tion View in Reaxys

electrospray ionisation (ESI); IT (ion trap); spectrum

Kirby, Andrea E.; Wheeler, Aaron R.; Lab on a Chip; vol. 13; nb. 13; (2013); p. 2533 - 2540, View in Reaxys

HRMS (High resolution mass spectrometry); Spectrum

supporting informa- Sun, Hua-Yin; Hua, Qing; Guo, Feng-Feng; Wang, Zhi-Yong; Huang, Wei-Xin; Advanced tion Synthesis and Catalysis; vol. 354; nb. 4; (2012); p. 569 - 573, View in Reaxys

ESI (Electrospray ionisation); Spectrum GCMS (Gas chromatography mass spectrometry); Spectrum

Wang, Lin; Chai, Yunfeng; Tu, Peijun; Sun, Cuirong; Pan, Yuanjiang; Journal of Mass Spectrometry; vol. 46; nb. 12; (2011); p. 1203 - 1210, View in Reaxys supporting informa- Orbegozo, Thomas; De Vries, Johannes G.; Kroutil, Wolfgang; European Journal of Organic tion Chemistry; nb. 18; (2010); p. 3445 - 3448, View in Reaxys

UV/VIS Spectroscopy (22) 1 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Location

supporting information

Kool, Eric T.; Park, Do-Hyoung; Crisalli, Pete; Journal of the American Chemical Society; vol. 135; nb. 47; (2013); p. 17663 - 17666, View in Reaxys 2 of 22

Description (UV/VIS Spectroscopy)

UV excited state absorption

Ohno, Keiichi; Itoh, Takao; Yokota, Chiyumi; Katsumoto, Yukiteru; Journal of Molecular Structure; vol. 825; nb. 1-3; (2006); p. 143 - 150, View in Reaxys 3 of 22

Solvent (UV/VIS Spectroscopy)

hexane

Comment (UV/VIS Spectroscopy)

ambient temperature

Absorption Maxima (UV/ VIS) [nm]

267.4; 378.4; 408.2

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Ext./Abs. Coefficient [l·mol-1cm-1]

37400; 26430; 24500

Ohno, Keiichi; Itoh, Takao; Yokota, Chiyumi; Katsumoto, Yukiteru; Journal of Molecular Structure; vol. 825; nb. 1-3; (2006); p. 143 - 150, View in Reaxys 4 of 22

Description (UV/VIS Spectroscopy)

Absorption maxima

Absorption Maxima (UV/ VIS) [nm]

235; 274; 320

Owen, Terence C.; Journal of Heterocyclic Chemistry; vol. 27; nb. 4; (1990); p. 987 - 990, View in Reaxys 5 of 22

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ VIS) [nm]

199

Ext./Abs. Coefficient [l·mol-1cm-1]

5250

Pietrzycki, Wladislaw; Tomasik, Piotr; Sucharda-Sobczyk, Anna; Journal of Molecular Structure; vol. 75; (1981); p. 141 154, View in Reaxys 6 of 22

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ VIS) [nm]

268; 263; 231; 199

Ext./Abs. Coefficient [l·mol-1cm-1]

3520; 3250; 9000; 5250

Pietrzycki, Wladyslaw; Tomasik, Piotr; Sucharda-Sobczyk, Anna; Journal of Molecular Structure; vol. 73; (1981); p. 49 62, View in Reaxys 7 of 22

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

cyclohexane

Absorption Maxima (UV/ VIS) [nm]

268; 263; 238; 231

Ext./Abs. Coefficient [l·mol-1cm-1]

3520; 3250; 7350; 9000

Pietrzycki, Wladislaw; Tomasik, Piotr; Sucharda-Sobczyk, Anna; Journal of Molecular Structure; vol. 75; (1981); p. 141 154, View in Reaxys 8 of 22

Description (UV/VIS Spectroscopy)

UV/VIS

Vasireddi; Ramachandra Rao; Journal of Inorganic and Nuclear Chemistry; vol. 39; (1977); p. 311, View in Reaxys; Stratton et al.; Inorganica Chimica Acta; vol. 3; (1969); p. 97,99, View in Reaxys; Gianni; Matteoli; Gazzetta Chimica Italiana; vol. 105; (1975); p. 125,129,132, View in Reaxys 9 of 22

Description (UV/VIS Spectroscopy)

Absorption maxima

Laviron; Bulletin de la Societe Chimique de France; (1961); p. 2349, View in Reaxys; Schaefer; Bertram; Journal of the American Chemical Society; vol. 89; (1967); p. 4121,4124, View in Reaxys 10 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Crowell et al.; Analytical Chemistry; vol. 35; (1963); p. 184, View in Reaxys 11 of 22

Description (UV/VIS Spectroscopy)

Spectrum

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Solvent (UV/VIS Spectroscopy)

dioxane

Comment (UV/VIS Spectroscopy)

225 - 300 nm

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 12 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. dioxane

Comment (UV/VIS Spectroscopy)

225 - 300 nm

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 13 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. dioxane

Comment (UV/VIS Spectroscopy)

210 - 350 nm

Nakamoto; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 5857,5861, View in Reaxys 14 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

210 - 350 nm

Nakamoto; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 5857,5861, View in Reaxys 15 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O (pH 0-14)

Comment (UV/VIS Spectroscopy)

220 - 340 nm

Nakamoto; Martell; Journal of the American Chemical Society; vol. 81; (1959); p. 5857,5861, View in Reaxys 16 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O (pH 2, pH 4 and pH 7)

Comment (UV/VIS Spectroscopy)

225 - 330 nm

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 17 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

Comment (UV/VIS Spectroscopy)

225 - 330 nm; bei 23grad, 40grad und 69grad.

Cabani; Cecchi; Annali di Chimica (Rome, Italy); vol. 49; (1959); p. 205,210, View in Reaxys 18 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O

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Comment (UV/VIS Spectroscopy)

210 - 310 nm

Volke; Collection of Czechoslovak Chemical Communications; vol. 23; (1958); p. 1486,1493, View in Reaxys 19 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. HCl

Comment (UV/VIS Spectroscopy)

210 - 310 nm

Volke; Collection of Czechoslovak Chemical Communications; vol. 23; (1958); p. 1486,1493, View in Reaxys 20 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. NaOH

Comment (UV/VIS Spectroscopy)

210 - 310 nm

Volke; Collection of Czechoslovak Chemical Communications; vol. 23; (1958); p. 1486,1493, View in Reaxys 21 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

cyclohexane

Comment (UV/VIS Spectroscopy)

220 - 380 nm

Grammaticakis; Bulletin de la Societe Chimique de France; (1956); p. 109,115; Bulletin de la Societe Chimique de France; (1959); p. 480,490, View in Reaxys 22 of 22

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Comment (UV/VIS Spectroscopy)

220 - 380 nm

Grammaticakis; Bulletin de la Societe Chimique de France; (1956); p. 109,115; Bulletin de la Societe Chimique de France; (1959); p. 480,490, View in Reaxys Rotational Spectroscopy (1) Description (Rota- References tional Spectroscopy) Microwave spectrum

Kawashima et al.; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 2009, View in Reaxys

Raman Spectroscopy (2) Description (Ram- Comment (Raman an Spectroscopy) Spectroscopy) Raman Bands

References Forrest et al.; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 32; (1976); p. 511,517, View in Reaxys

(unverd.) im Bereich von 1750 cmE-1 bis 120 cmE-1

Chiorboli et al.; Annali di Chimica (Rome, Italy); vol. 48; (1958); p. 355,361, View in Reaxys

Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence quantum yield

Ishitani, Osamu; Yanagida, Shozo; Takamuku, Setsuo; Pac, Chyongjin; Journal of Organic Chemistry; vol. 52; nb. 13; (1987); p. 2790 - 2796, View in Reaxys

Phosphorescence Spectroscopy (2)

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Description (Phosphorescence Spectroscopy)

Solvent (Phosphorescence Spectroscopy)

Comment (Phosphorescence Spectroscopy)

References

Maxima

propan-2-ol; H2O

290 nm; 425 nm

Gorner, Helmut; Kuhn, Hans Jochen; Journal of Physical Chemistry; vol. 90; nb. 22; (1986); p. 5946 - 5955, View in Reaxys

Phosphorescence

Padhye; Jahagirdar; Indian Journal of Chemistry; vol. 13; (1975); p. 1300, View in Reaxys; Koyanagi; Goodman; Chemical Physics Letters; vol. 21; (1973); p. 1, View in Reaxys; Padhye; Jahagirdar; Current Science; vol. 43; (1974); p. 745, View in Reaxys; Latas; Nishimura; Journal of Photochemistry; vol. 9; (1978); p. 577,579, View in Reaxys

Ecotoxicology (5) 1 of 5

Effect (Ecotoxicology)

toxic to algae

Species or Test-System (Ecotoxicology)

Pseudokirchneriella subcapitata, UTEX 1648

Method (Ecotoxicology)

in sealed BOD bottles filled with dilution H2O with growth medium (pH 7.5); no headspace; testsystem exposed to title comp. for 48 h at 24 deg C, 65 μEm-2s-1 with shaking at 100 rpm; percent inhibition rate on the net increase of cell density determ.

Further Details (Ecotoxicology)

growth medium without EDTA; BOD: biochemical-oxygen-demand; EC50: median effective conc.; percent inhibition = <(Xt - Xo)/Xc - Xo)>*100; Xt and Xc denote final cell densities for treatment and control, resp.; Xo: initial cell density

Type (Ecotoxicology)

EC50

Value of Type (Ecotoxicol- 16.85 mg/l ogy) Tsai, Kuo-Pei; Chen, Chung-Yuan; Environmental Toxicology and Chemistry; vol. 26; nb. 9; (2007); p. 1931 - 1939, View in Reaxys 2 of 5

Effect (Ecotoxicology)

toxicity to bacteria

Endpoint of Effect (Ecotoxicology)

growth

Species or Test-System (Ecotoxicology)

Arthrobacter sp. R1, bacterium

Concentration (Ecotoxicology)

100 mg/l

Method (Ecotoxicology)

inoculation in mineral salt medium (MSM) with 0.54 mmol/L (NH4)2SO4 and 30 mg/L yeast extract

Further Details (Ecotoxicology)

control experiment: MSM with 30 mg/L yeast extract

Results

growth inhibition

O'Loughlin, Edward J.; Sims, Gerald K.; Traina, Samuel J.; Biodegradation; vol. 10; nb. 2; (1999); p. 93 - 104, View in Reaxys 3 of 5

Effect (Ecotoxicology)

enzyme; inhibition of

Species or Test-System (Ecotoxicology)

barley malt α-amylase

Method (Ecotoxicology)

standard assay, pH 5

Further Details (Ecotoxicology)

acarbose (IC50 9.2E-5 mol/l) used as reference compound

Comment (Ecotoxicology) No effect Sakagami, Yoshikazu; Tsujibo, Hiroshi; Hirai, Yuka; Yamada, Takeshi; Numata, Atsushi; Inamori, Yoshihiko; Biological and Pharmaceutical Bulletin; vol. 22; nb. 11; (1999); p. 1234 - 1236, View in Reaxys 4 of 5

Effect (Ecotoxicology)

germination effect

Species or Test-System (Ecotoxicology)

Brassica campestris seeds

Concentration (Ecotoxicology)

0.0003 - 0.001 mol/l

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Method (Ecotoxicology)

effect of title comp. on root growth assayed; observation time: 7 d; 27 deg C; 20 seeds/group

Further Details (Ecotoxicology)

2,4-dichlorophenoxyacetate used as reference compound; root growth in control group at 5.0E-4 mol/l: 42.2 mm

Results

at 3.0E-4 mol/l dose root growth of 32.0 mm was observed, at 5.0E-4 mol/l root length was 25.1 mm, at 1.0E-3 mol/l root length was 24.2 mm

Sakagami, Yoshikazu; Tsujibo, Hiroshi; Hirai, Yuka; Yamada, Takeshi; Numata, Atsushi; Inamori, Yoshihiko; Biological and Pharmaceutical Bulletin; vol. 22; nb. 11; (1999); p. 1234 - 1236, View in Reaxys 5 of 5

Effect (Ecotoxicology)

chlorophyll content; reduction of

Species or Test-System (Ecotoxicology)

Brassica campestris cotyledons

Concentration (Ecotoxicology)

0.0003 - 0.001 mol/l

Method (Ecotoxicology)

effect of title comp. on chlorophyll content assayed; observation time: 7 d; 27 deg C; illumination time: 12h/d

Further Details (Ecotoxicology)

2,4-dichlorophenoxyacetate used as reference compound

Results

treatment with title comp. caused reduction of total chlorophyll to 10.79, 9.66, 7.28 percent (control: 18.98 percent), chlorophyll a to 6.65, 5.64, 4.57 percent (control: 14.01 percent), and chlorophyll b to 4.15, 4.03, 2.72 percent (control: 4.99 percent), for 3E-4, 5E-4, and 1E-3 mol/l dose

References

unstable in the presence of acids

Narsaiah, A. Venkat; Kumar, J. Kranthi; Narsimha; Synthesis; nb. 10; (2010); p. 1609 - 1612; Art.No: Z00310SS, View in Reaxys ribonucleotide reductase inhibitor; inhibits virus replication and the possible inflammatory aspect of hepatitis C

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Restenosis

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular proliferative disorder

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular trauma

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Balloon angioplasty Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys Vein graft

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Coronary by-pass graft

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Percutaneous trans- Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH luminal vascular in- FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys tervention (PTVI) Intravascular device Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH implantation FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys Carotid endarderec- Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH tomy FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys Vascular proliferative disorders following injury

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

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Vascular proliferative disorders following various surgical procedures

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular trauma Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH following percuta- FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys neous transluminal coronary angioplasty (PTCA) Restenosis following transplant surgery

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Restenosis following vein grafting

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Restenosis following coronary bypass grafting

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Restenosis following percutaneous transluminal coronary angioplasty (PTCA)

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Restenosis following angioplasty

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular proliferation involved in atherosclerosis

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular proliferation following intravascular device implantation

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular proliferation at the site of vascular anastamosis

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Vascular prolifera- Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH tion following caro- FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys tid endarderectomy Transplant vasculopathy

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Viral infections

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Restenosis in organ transplantation

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Herpes viruses

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Cytomegalovirus

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Herpes I

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Herpes II

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Hepatitis B

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Hepatitis C

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

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HIV I

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

HIV II

Patent; MOLECULES FOR HEALTH, INC.; OHIO STATE UNIVERSITY RESEARCH FOUNDATION; WO2005/115405; (2005); (A1) English, View in Reaxys

Quantum Chemical Calculations (1) Calculated Proper- Method (Quantum ties Chemical Calculations) Molecular orbitals; Electronic energy levels

Ab initio calcns. (LCAO, GO SCF, DIM, SAMO, X-à, Hartree-Fock)

Location

References

supporting informa- Pratihar, Sanjay; Organic and Biomolecular Chemistry; vol. 12; nb. 30; tion (2014); p. 5781 - 5788, View in Reaxys

Medchem (40) 1 of 40

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Serratia marcescens

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3333

Measurement pX

2.48

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Applied Organometallic Chemistry; vol. 25; nb. 1; (2011); p. 27 - 33, View in Reaxys 2 of 40

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Escherichia coli

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3739

Measurement pX

2.43

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Applied Organometallic Chemistry; vol. 25; nb. 1; (2011); p. 27 - 33, View in Reaxys 3 of 40

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Staphylococcus aureus

Substance RN

105341View in Reaxys

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Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3821

Measurement pX

2.42

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Applied Organometallic Chemistry; vol. 25; nb. 1; (2011); p. 27 - 33, View in Reaxys 4 of 40

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Bacillus subtilis

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3414

Measurement pX

2.47

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Applied Organometallic Chemistry; vol. 25; nb. 1; (2011); p. 27 - 33, View in Reaxys 5 of 40

Substance Effect

Antibiotic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Pseudomonas aeruginosa

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

2902

Measurement pX

2.54

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Applied Organometallic Chemistry; vol. 25; nb. 1; (2011); p. 27 - 33, View in Reaxys 6 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Serratia marcescens

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

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Quantitative value

3333

Measurement pX

2.48

Patel; Gandhi; Parmar; Nucleosides, Nucleotides and Nucleic Acids; vol. 31; nb. 6; (2012); p. 445 - 460, View in Reaxys 7 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Escherichia coli

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3739

Measurement pX

2.43

Patel; Gandhi; Parmar; Nucleosides, Nucleotides and Nucleic Acids; vol. 31; nb. 6; (2012); p. 445 - 460, View in Reaxys 8 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Staphylococcus aureus

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3821

Measurement pX

2.42

Patel; Gandhi; Parmar; Nucleosides, Nucleotides and Nucleic Acids; vol. 31; nb. 6; (2012); p. 445 - 460, View in Reaxys 9 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Bacillus subtilis

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

3414

Measurement pX

2.47

Patel; Gandhi; Parmar; Nucleosides, Nucleotides and Nucleic Acids; vol. 31; nb. 6; (2012); p. 445 - 460, View in Reaxys 10 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

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Bioassay Name

In Vitro (others)

Bioassay Details

Effect : antibacterial

Biological Species/NCBI ID

Pseudomonas aeruginosa

Substance RN

105341View in Reaxys

Substance Name

A%1&

Measurement Parameter

MIC

Unit

µM

Quantitative value

2902

Measurement pX

2.54

Patel; Gandhi; Parmar; Nucleosides, Nucleotides and Nucleic Acids; vol. 31; nb. 6; (2012); p. 445 - 460, View in Reaxys 11 of 40

12 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Sprague Dawley rat

Organs/Tissues

brain cortex

Cells/Cell Lines

cells

Cell Fraction

Membrane

Substance RN

105341View in Reaxys

Substance Name

Measurement Parameter

Unit

µM

Qualitative value

Quantitative value

100

Measurement pX

Concomitants: Compound RN

754371; 754371

Concomitants: Compound name

Diazepam; [3H]-Diazepam

Concomitants: Compound role

NSB; RAD

Substance Effect

Genotoxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Cells/Cell Lines

HL-60 cell line

Substance RN

105341View in Reaxys

Substance Name

211313

Measurement Parameter

Qualitative

Qualitative value

Ogata; Inoue; Iwata; Okumura; Taguchi; Bioscience, biotechnology, and biochemistry; vol. 65; nb. 10; (2001); p. 2337 2339, View in Reaxys 13 of 40

Target Name

Tyrosine-protein phosphatase non-receptor type 1

Target Synonyms

cptp1; protein-tyrosine phosphatase 1b; protein-tyrosine phosphatase ha2; ptp-1b; ptp-ha2; ptp1b; ptpn1; tyrosine-protein phosphatase non-receptor type 1

Target, Subunit, Species

Tyrosine-protein phosphatase non-receptor type 1

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Target Mutant/Chimera Details

Tyrosine-protein phosphatase non-receptor type 1:Wild

Target Transfection

Transfected

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Escherichia coli

Substance RN

105341View in Reaxys

Substance Name

Measurement Parameter

Unit

µM

Quantitative value

100

Measurement pX

Ockey, Denise A.; Gadek, Thomas R.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 2; (2004); p. 389 - 391, View in Reaxys 14 of 40

Target Name

Tyrosine-protein phosphatase non-receptor type 1

Target Synonyms

cptp1; protein-tyrosine phosphatase 1b; protein-tyrosine phosphatase ha2; ptp-1b; ptp-ha2; ptp1b; ptpn1; tyrosine-protein phosphatase non-receptor type 1

Target, Subunit, Species

Tyrosine-protein phosphatase non-receptor type 1

Target Mutant/Chimera Details

Tyrosine-protein phosphatase non-receptor type 1:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Substance RN

105341View in Reaxys

Substance Name

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

300

Measurement pX

Concomitants: Compound name

Fluorescein diphosphate

Concomitants: Compound role

SUB

Ockey, Denise A.; Gadek, Thomas R.; Bioorganic and Medicinal Chemistry Letters; vol. 14; nb. 2; (2004); p. 389 - 391, View in Reaxys 15 of 40

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Name

Cell/tumor cell: proliferation/viability/growth

Bioassay Details

Effect : growthBioassay : control experiment: MSM with 30 mg/L yeast extract inoculation in mineral salt medium (MSM) with 0.54 mmol/L (NH4)2SO4 and 30 mg/L yeast extract

Biological Species/NCBI ID

Arthrobacter

Substance RN

105341View in Reaxys

Substance Name

211313

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Substance Dose

100 mg/L

Qualitative Results

growth inhibition

Measurement Parameter

Qualitative

O'Loughlin, Edward J.; Sims, Gerald K.; Traina, Samuel J.; Biodegradation; vol. 10; nb. 2; (1999); p. 93 - 104, View in Reaxys 16 of 40

Substance Effect

Antialgae

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Target : Pseudokirchneriella subcapitata, UTEX 1648Bioassay : growth medium without EDTA; BOD: biochemical-oxygen-demand; EC50: median effective conc.; % inhibition = <(Xt - Xo)/Xc Xo)>*100; Xt and Xc denote final cell densities for treatment and control, resp.; Xo: initial cell in sealed BOD bottles filled with dilution H2O with growth medium (pH 7.5); no headspace; test-system exposed to title comp. for 48 h at 24 deg C, 65 μEm-2s-1 with shaking at 100 rpm; % inhibition rate

Substance RN

105341View in Reaxys

Substance Name

211313

Measurement Parameter

EC50

Unit

mg/L

Quantitative value

16.85

Measurement pX

3.8

Tsai, Kuo-Pei; Chen, Chung-Yuan; Environmental Toxicology and Chemistry; vol. 26; nb. 9; (2007); p. 1931 - 1939, View in Reaxys 17 of 40

18 of 40

Target Name

2-Keto-3-Deoxy-6-Phosphogluconate Aldolase [Escherichia coli]

Target Synonyms

2-keto-3-deoxy-6-phosphogluconate aldolase

Target, Subunit, Species

2-Keto-3-Deoxy-6-Phosphogluconate Aldolase [Escherichia coli]

Target Mutant/Chimera Details

2-Keto-3-Deoxy-6-Phosphogluconate Aldolase [Escherichia coli]:Wild

Target Species (Bioactivity)

Escherichia coli

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for substrate specificity towards Escherichia coli 2-Keto-3-deoxy-6-phosphogluconate aldolase in the presence of pyruvate nucleophilic component

Biological Species/NCBI ID

Escherichia coli

Substance RN

105341View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

relative activity

Qualitative value

Quantitative value

100

Concomitants: Compound name

Pyruvate nucleophilic component

Concomitants: Compound role

COM

Target Name

2-Keto-3-Deoxy-6-Phosphogluconate Aldolase [Thermotoga maritima]

Target Synonyms

2-keto-3-deoxy-6-phosphogluconate aldolase

Target, Subunit, Species

2-Keto-3-Deoxy-6-Phosphogluconate Aldolase [Thermotoga maritima]

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20 of 40

Target Mutant/Chimera Details

2-Keto-3-Deoxy-6-Phosphogluconate Aldolase [Thermotoga maritima]:Wild

Target Species (Bioactivity)

Thermotoga maritima

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for substrate specificity towards thermotoga maritima 2-Keto-3-deoxy-6phosphogluconate aldolase in the presence of pyruvate nucleophilic component; 1-25 percent

Biological Species/NCBI ID

Thermotoga maritima

Substance RN

105341View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

relative activity

Qualitative value

Quantitative value

Target Name

Dehydrogenase

Target Synonyms

dehydrogenase

Target, Subunit, Species

Dehydrogenase

Target Mutant/Chimera Details

Dehydrogenase:Wild

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis menten constant towards Dehydrogenase was determined upon incubation with the compound (2mM) in 50 mM Tris-Cl, pH 7.5 at 28 degree C

Substance RN

105341View in Reaxys

Substance Dose

2 mM

Measurement Parameter

Unit

µM

Measurement Object

oxidation of NADH

Qualitative value

Quantitative value

123.2

Measurement pX

3.91

Target Name

Dehydrogenase

Target Synonyms

dehydrogenase

Target, Subunit, Species

Dehydrogenase

Target Mutant/Chimera Details

Dehydrogenase:Wild

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Catalytic constant of the compound towards Dehydrogenase to that of Michelis-Menten constant was determined

Substance RN

105341View in Reaxys

Qualitative Results

kcat/Km not calculated

Measurement Parameter

Qualitative

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Measurement Object

kcat/Km

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of compound against Gram positive Bacillus subtilis growth upon incubation at 37 degree C using TWO FOLD SERIAL DILUTION METHOD

Biological Species/NCBI ID

Bacillus subtilis

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

BACTERIAL GROWTH

Qualitative value

Quantitative value

3414

Measurement pX

2.47

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Journal of Enzyme Inhibition and Medicinal Chemistry; vol. 26; nb. 2; (2011); p. 188 - 197, View in Reaxys 22 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of compound against Gram negative Pseudomonas aeruginosa growth upon incubation at 37 degree C using TWO FOLD SERIAL DILUTION METHOD

Biological Species/NCBI ID

Pseudomonas aeruginosa

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

BACTERIAL GROWTH

Qualitative value

Quantitative value

2902

Measurement pX

2.54

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Journal of Enzyme Inhibition and Medicinal Chemistry; vol. 26; nb. 2; (2011); p. 188 - 197, View in Reaxys 23 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of compound against Gram negative Escherichia coli growth upon incubation at 37 degree C using TWO FOLD SERIAL DILUTION METHOD

Biological Species/NCBI ID

Escherichia coli

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

BACTERIAL GROWTH

Qualitative value

Quantitative value

3739

Measurement pX

2.43

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Journal of Enzyme Inhibition and Medicinal Chemistry; vol. 26; nb. 2; (2011); p. 188 - 197, View in Reaxys

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Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of compound against Gram positive Staphylococcus aureus growth upon incubation at 37 degree C using TWO FOLD SERIAL DILUTION METHOD

Biological Species/NCBI ID

Staphylococcus aureus

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

BACTERIAL GROWTH

Qualitative value

Quantitative value

3821

Measurement pX

2.42

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Journal of Enzyme Inhibition and Medicinal Chemistry; vol. 26; nb. 2; (2011); p. 188 - 197, View in Reaxys 25 of 40

Substance Effect

Antimicrobial

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of compound against Gram negative Serratia marcescens growth upon incubation at 37 degree C using TWO FOLD SERIAL DILUTION METHOD

Biological Species/NCBI ID

Serratia marcescens

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

BACTERIAL GROWTH

Qualitative value

Quantitative value

3333

Measurement pX

2.48

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Journal of Enzyme Inhibition and Medicinal Chemistry; vol. 26; nb. 2; (2011); p. 188 - 197, View in Reaxys 26 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of the compound against Escherichia coli upon incubation for 24 h at 37 +/- 1 degree C by serial dilution technique

Biological Species/NCBI ID

Escherichia coli

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

Minimum Inhibitory Concentration

Qualitative value

Quantitative value

3739

Measurement pX

2.43

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Bioorganic and Medicinal Chemistry; vol. 18; nb. 3; (2010); p. 1227 - 1235, View in Reaxys 27 of 40

Bioassay Category

In Vitro (Efficacy)

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Bioassay Details

In vitro minimum inhibitory concentration of the compound against Staphylococcus aureus upon incubation for 24 h at 37 +/- 1 degree C by serial dilution technique

Biological Species/NCBI ID

Staphylococcus aureus

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

Minimum Inhibitory Concentration

Qualitative value

Quantitative value

3821

Measurement pX

2.42

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Bioorganic and Medicinal Chemistry; vol. 18; nb. 3; (2010); p. 1227 - 1235, View in Reaxys 28 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of the compound against Pseudomonas aeruginosa upon incubation for 24 h at 37 +/- 1 degree C by serial dilution technique

Biological Species/NCBI ID

Pseudomonas aeruginosa

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

Minimum Inhibitory Concentration

Qualitative value

Quantitative value

2902

Measurement pX

2.54

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Bioorganic and Medicinal Chemistry; vol. 18; nb. 3; (2010); p. 1227 - 1235, View in Reaxys 29 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of the compound against Bacillus subtilis upon incubation for 24 h at 37 +/- 1 degree C by serial dilution technique

Biological Species/NCBI ID

Bacillus subtilis

Substance RN

105341View in Reaxys

Measurement Parameter

MIC

Unit

µM

Measurement Object

Minimum Inhibitory Concentration

Qualitative value

Quantitative value

3414

Measurement pX

2.47

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Bioorganic and Medicinal Chemistry; vol. 18; nb. 3; (2010); p. 1227 - 1235, View in Reaxys 30 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro minimum inhibitory concentration of the compound against Serratia marcescens upon incubation for 24 h at 37 +/- 1 degree C by serial dilution technique

Biological Species/NCBI ID

Serratia marcescens

Substance RN

105341View in Reaxys

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Measurement Parameter

MIC

Unit

µM

Measurement Object

Minimum Inhibitory Concentration

Qualitative value

Quantitative value

3333

Measurement pX

2.48

Patel, Mohan N.; Parmar, Pradhuman A.; Gandhi, Deepen S.; Bioorganic and Medicinal Chemistry; vol. 18; nb. 3; (2010); p. 1227 - 1235, View in Reaxys 31 of 40

Substance Effect

Antiviral

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against replication of human immunodeficiency virus type 1 93IN101 in Sup-T1 cells by MTT assay

Biological Species/NCBI ID

Human immunodeficiency virus 1 (strain 93IN101)

Cells/Cell Lines

SUP-T1 cell line

Substance RN

105341View in Reaxys

Measurement Parameter

pIC50

Measurement Object

Virus replication

Qualitative value

Quantitative value

6.59

Measurement pX

6.59

Ponraj, Kannapiran; Prabhakar, Maddela; Rathore; Bommakanti, Akhila; Kondapi, Anand K.; Current Pharmaceutical Design; vol. 19; nb. 26; (2013); p. 4776 - 4786, View in Reaxys 32 of 40

Target Name

Topoisomerase dna ii 180kda (Beta) [Human immunodeficiency virus 1]

Target Synonyms

topoisomerase dna ii 180kda (beta)

Target, Subunit, Species

Topoisomerase dna ii 180kda (Beta) [Human immunodeficiency virus 1]

Target Mutant/Chimera Details

Topoisomerase dna ii 180kda (Beta) [Human immunodeficiency virus 1]:Wild

Target Species (Bioactivity)

Human immunodeficiency virus 1

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of compound against human immunodeficiency virus type 1 topoisomerase ii beta kinase was determined

Substance RN

105341View in Reaxys

Measurement Parameter

pIC50

Qualitative value

Quantitative value

6.59

Measurement pX

6.59

Ponraj, Kannapiran; Prabhakar, Maddela; Rathore; Bommakanti, Akhila; Kondapi, Anand K.; Current Pharmaceutical Design; vol. 19; nb. 26; (2013); p. 4776 - 4786, View in Reaxys 33 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent relative reduction of compound (1 mM, dissolved in dimethyl sulfoxide) by Escherichia coli HB 101 (pNTOM3) in presence of NADPH (0.25 mM) upon incubation in 100 mM phosphate buffer, pH 6.5 for 1 min at 30 degree C when compared to control (CBPB)=100

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Biological Species/NCBI ID

Escherichia coli HB101

Substance RN

105341View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

relative activity

Qualitative value

Quantitative value

Patent; Kaneka Corporation; US7794993; (2010); (B2) English, View in Reaxys 34 of 40

Target Name

carbonyl reductase (NADPH)

Target Synonyms

carbonyl reductase; carbonyl reductase (nadph); nadph-dependent carbonyl reductase; nadph2-dependent carbonyl reductase; nonspecific nadph-dependent carbonyl reductase; secondary-alcohol:nadp+ oxidoreductase

Target, Subunit, Species

carbonyl reductase (NADPH)

Target Mutant/Chimera Details

carbonyl reductase (NADPH):Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Activity of the compound against Carbonyl reductase

Substance RN

105341View in Reaxys

Qualitative Results

Not Published

Measurement Parameter

Qualitative

Qualitative value

Not Published

Patent; Kaneka Corporation; US7794993; (2010); (B2) English, View in Reaxys 35 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent relative reduction of compound (1 mM, dissolved in dimethyl sulfoxide) by Escherichia coli HB 101 (pNTOM4) in presence of NADPH (0.25 mM) upon incubation in 100 mM phosphate buffer, pH 6.5 for 1 min at 30 degree C when compared to control (CBPB)=100

Biological Species/NCBI ID

Escherichia coli HB101

Substance RN

105341View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

relative activity

Qualitative value

Quantitative value

Patent; Kaneka Corporation; US7794993; (2010); (B2) English, View in Reaxys 36 of 40

Target Name

carbonyl reductase (NADPH)

Target Synonyms

Target, Subunit, Species

carbonyl reductase (NADPH)

Target Mutant/Chimera Details

carbonyl reductase (NADPH):Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Activity of the compound against Carbonyl reductase

Substance RN

105341View in Reaxys

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Qualitative Results

Not Published

Measurement Parameter

Qualitative

Qualitative value

Not Published

Patent; SOUICHI MORIKAWA; NORIYUKI KIZAKI; MIHO YANO; MASAHIRO FUNAKI; TERUAKI TAKESUE; YOSHIHIKO YASOHARA; TAKAHISA NAKAI; MICHIHIKO KATAOKA; SAKAYU SHIMIZU; US2010/317075; (A1); (2010), View in Reaxys 37 of 40

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Biological Species/NCBI ID

Escherichia coli HB101

Substance RN

105341View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

relative activity

Qualitative value

Quantitative value

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Biological Species/NCBI ID

Escherichia coli HB101

Substance RN

105341View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

relative activity

Qualitative value

Quantitative value

Target Name

Aldose reductase

Target Synonyms

20-alpha-hsd; 20-alpha-hydroxysteroid dehydrogenase (aldose reductase); akr1b1; akr1b3; akr1b4; aldehyde reductase (aldose reductase); aldo-keto reductase family 1 member b1; aldor1; aldose reductase; aldr1 (aldose reductase); alr2 (aldose reductase); ar; ecu01_0970

Target, Subunit, Species

Aldose reductase

Target Mutant/Chimera Details

Aldose reductase:Wild

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Substance RN

105341View in Reaxys

Substance Name

pyridine-2-aldehyde

Measurement Parameter

Amount

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Unit

nmol/min/mg protein

Measurement Object

of NADPH oxidized

Quantitative value

632

Target Name

Aldo-keto reductase family 1 member B10

Target Synonyms

akr1b10; akr1b11; akr1b8 (aldo-keto reductase family 1 member b10); aldehyde reductase (aldoketo reductase family 1 member b10); aldo-keto reductase family 1 member b10; aldose reductaselike; aldose reductase-related protein; aldose reductase-related protein 2 (aldo-keto reductase family 1 member b10); ar; arl-1 (aldo-keto reductase family 1 member b10); arp; fgfrp; fibroblast growth factor-regulated protein; harp; protein fr-1; si reductase; small intestine reductase

Target, Subunit, Species

Aldo-keto reductase family 1 member B10

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member B10:Wild

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Substance RN

105341View in Reaxys

Substance Name

pyridine-2-aldehyde

Measurement Parameter

Amount

Unit

nmol/min/mg protein

Measurement Object

of NADPH oxidized

Quantitative value

4645

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