1-Naphthoyl chloride [C11H7ClO]

Query Query

1. Query

Cl

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Date

1 substances in Reaxys

2018-02-11 11h:14m:13s (EST)

O

Search as: As drawn AND (IDE.XRN='775785')

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2018-02-11 11:16:38

Reaxys ID 775785 View in Reaxys

Cl

1/1 CAS Registry Number: 879-18-5 Chemical Name: naphthalene-1-carbonic acid chloride; 1Naphthoyl chloride Linear Structure Formula: C10H7C(O)Cl Molecular Formula: C11H7ClO Molecular Weight: 190.629 Type of Substance: isocyclic InChI Key: NSNPSJGHTQIXDO-UHFFFAOYSA-N Note:

O

Substance Label (71) Label References 2

Liu, Kwang-Ting; Hwang, Patty Y.-H.; Chen, Hun-I.; Journal of Physical Organic Chemistry; vol. 15; nb. 11; (2002); p. 750 - 757, View in Reaxys; Peng, Yongle; Liu, Xingli; Gu, Jian; Zhao, Zhigang; Journal of Chemical Research; vol. 37; nb. 7; (2013); p. 413 - 416, View in Reaxys; Zhang, Mengjia; Chen, Jinliang; Chen, Zhirong; Weng, Zhiqiang; Tetrahedron; vol. 72; nb. 24; (2016); p. 3525 - 3530, View in Reaxys; Miao, Jiankang; Huang, Bin; Liu, Haiyi; Cai, Mingzhong; RSC Advances; vol. 7; nb. 67; (2017); p. 42570 42578, View in Reaxys

8k

Merk, Daniel; Gabler, Matthias; Gomez, Roberto Carrasco; Flesch, Daniel; Hanke, Thomas; Kaiser, Astrid; Lamers, Christina; Werz, Oliver; Schneider, Gisbert; Schubert-Zsilavecz, Manfred; Bioorganic and Medicinal Chemistry; vol. 22; nb. 8; (2014); p. 2447 - 2460, View in Reaxys; Chen, Yi-Ru; Reddy, Ganapuram Madhusudhan; Hong, Shao-Hao; Wang, Ying-Zheng; Yu, Jhen-Kuei; Lin, Wenwei; Angewandte Chemie - International Edition; vol. 56; nb. 18; (2017); p. 5106 - 5110; Angew. Chem.; vol. 129; nb. 18; (2017); p. 5188 - 5192,5, View in Reaxys

2u

Wang, Junwen; Zhang, Mengjia; Weng, Zhiqiang; Journal of Fluorine Chemistry; vol. 193; (2017); p. 24 32, View in Reaxys

2b

McAteer, Donald C.; Javed, Erman; Huo, Lily; Huo, Shouquan; Organic Letters; vol. 19; nb. 7; (2017); p. 1606 - 1609, View in Reaxys

2f

Helberg, Julian; Marin-Luna, Marta; Zipse, Hendrik; Synthesis (Germany); vol. 49; nb. 15; (2017); p. 3460 - 3470, View in Reaxys

1e

Malapit, Christian A.; Ichiishi, Naoko; Sanford, Melanie S.; Organic Letters; vol. 19; nb. 15; (2017); p. 4142 - 4145, View in Reaxys

7i-1

Taha, Taha Y.; Aboukhatwa, Shaimaa M.; Knopp, Rachel C.; Ikegaki, Naohiko; Abdelkarim, Hazem; Neerasa, Jayaprakash; Lu, Yunlong; Neelarapu, Raghupathi; Hanigan, Thomas W.; Thatcher, Gregory R. J.; Petukhov, Pavel A.; ACS Medicinal Chemistry Letters; vol. 8; nb. 8; (2017); p. 824 - 829, View in Reaxys

3f

Okuma, Kentaro; Yamaguchi, Hazuki; Nagatoshi, Risa; Matsui, Hiroyuki; Iwashita, Hidefumi; Nagahora, Noriyoshi; Shioji, Kosei; Chemistry Letters; vol. 46; nb. 7; (2017); p. 960 - 963, View in Reaxys

3

Ahmed, Anjum; Clayden, Jonathan; Rowley, Michael; Synlett; nb. 12; (1999); p. 1954 - 1956, View in Reaxys; Lv, Zhigang; Wang, Bingnan; Hu, Zhiyuan; Zhou, Yiming; Yu, Wenquan; Chang, Junbiao; Journal of Organic Chemistry; vol. 81; nb. 20; (2016); p. 9924 - 9930, View in Reaxys

1-2e

Seltzman, Herbert H.; Shiner, Craig; Hirt, Erin E.; Gilliam, Anne F.; Thomas, Brian F.; Maitra, Rangan; Snyder, Rod; Black, Sherry L.; Patel, Purvi R.; Mulpuri, Yatendra; Spigelman, Igor; Journal of Medicinal Chemistry; vol. 59; nb. 16; (2016); p. 7525 - 7543, View in Reaxys

1

Yun, Taikangxiang; Qin, Tan; Liu, Ying; Lai, Luhua; European Journal of Medicinal Chemistry; vol. 124; (2016); p. 229 - 236, View in Reaxys

8c

Begum, Jaida; Varga, Gergely; Docsa, Tibor; Gergely, Pl; Hayes, Joseph M.; Juhsz, Lszl; Somsk, Lszl; MedChemComm; vol. 6; nb. 1; (2015); p. 80 - 89, View in Reaxys

7s

Panferova, Liubov I.; Miloserdov, Fedor M.; Lishchynskyi, Anton; Martínez Belmonte, Marta; BenetBuchholz, Jordi; Grushin, Vladimir V.; Angewandte Chemie - International Edition; vol. 54; nb. 17; (2015); p. 5218 - 5222; Angew. Chem.; vol. 127; nb. 17; (2015); p. 5307 - 5311,5, View in Reaxys

5p; 42b

Patent; THE UNIVERSITY OF KANSAS; BLAGG, Brian, S.J.; ZHAO, Huiping; WO2015/70091; (2015); (A1) English, View in Reaxys

6

Hu, Wei-Bo; Hu, Wen-Jing; Zhao, Xiao-Li; Liu, Yahu A.; Li, Jiu-Sheng; Jiang, Biao; Wen, Ke; Chemical Communications; vol. 51; nb. 73; (2015); p. 13882 - 13885, View in Reaxys

5d

Marton, Zsuzsanna; Guillon, Rmi; Krimm, Isabelle; Preeti; Rahimova, Rahila; Egron, David; Jordheim, Lars P.; Aghajari, Nushin; Dumontet, Charles; Prigaud, Christian; Lionne, Corinne; Peyrottes, Su-

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2018-02-11 11:16:38

zanne; Chaloin, Laurent; Journal of Medicinal Chemistry; vol. 58; nb. 24; (2015); p. 9680 - 9696, View in Reaxys 2t

Gao, Xi-Ai; Wang, Xian-Xue; Yan, Hao; Li, Jian; Yan, Ru-Long; Huang, Guo-Sheng; Journal of the Indian Chemical Society; vol. 90; nb. 3; (2013); p. 381 - 385, View in Reaxys; Khan, Zulfiqar Ali; Afzal, Noshaba; Hussain, Zaib; Naqvi, Syed Ali Raza; Bari, Ayesha; Shahzad, Sohail Anjum; Yar, Muhammad; Mahmood, Nasir; Bukhari, Shazia Anwer; Mansha, Asim; Zahoor, Ameer Fawad; Khan, Abdur Rahman; Ahmad, Matloob; Asian Journal of Chemistry; vol. 26; nb. 15; (2014); p. 4561 - 4565, View in Reaxys

29

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; RESEARCH TRIANGLE INSTITUTE; SPIGELMAN, Igor; SELTZMAN, Herbert, H.; SHINER, Craig; WO2014/15298; (2014); (A1) English, View in Reaxys

4i

Asahara, Haruyasu; Kida, Toshiyuki; Iwamoto, Takuya; Hinoue, Tomoaki; Akashi, Mitsuru; Tetrahedron; vol. 70; nb. 2; (2014); p. 197 - 203, View in Reaxys

10o

Zhao, Huiping; Moroni, Elisabetta; Colombo, Giorgio; Blagg, Brian S. J.; ACS Medicinal Chemistry Letters; vol. 5; nb. 1; (2014); p. 84 - 88, View in Reaxys

42b

Zhao, Huiping; Garg, Gaurav; Zhao, Jinbo; Moroni, Elisabetta; Girgis, Antwan; Franco, Lucas S.; Singh, Swapnil; Colombo, Giorgio; Blagg, Brian S.J.; European Journal of Medicinal Chemistry; vol. 89; (2014); p. 442 - 466, View in Reaxys

2s

Khan, Zulfiqar Ali; Naqvi, Syed Ali Raza; Shahzad, Sohail Anjum; Mahmood, Nasir; Yar, Muhammad; Zahoor, Ameer Fawad; Asian Journal of Chemistry; vol. 25; nb. 1; (2013); p. 152 - 156, View in Reaxys; Hussain, Zaib; Khan, Zulfiqar Ali; Naqvi, Syed Ali Raza; Shahzad, Sohail Anjum; Yar, Muhammad; Hussain, Abdullah Ijaz; Chatha, Shahzad Ali Shahid; Mahmood, Nasir; Khan, Khalid Mohammed; Journal of the Chemical Society of Pakistan; vol. 35; nb. 2; (2013); p. 449 - 455, View in Reaxys

3k

Shimo, Tetsuro; Taketsugu, Yuki; Goto, Takuya; Toyama, Masaaki; Yoshimura, Kohji; Baba, Masanori; Heterocycles; vol. 87; nb. 6; (2013); p. 1349 - 1358, View in Reaxys

1j

Cano, Rafael; Yus, Miguel; Ramon, Diego J.; Tetrahedron; vol. 69; nb. 34; (2013); p. 7056 - 7065, View in Reaxys

4f

Micksch, Maik; Tenne, Mario; Strassner, Thomas; European Journal of Organic Chemistry; nb. 27; (2013); p. 6137 - 6145, View in Reaxys

5b

Quesnel, Jeffrey S.; Arndtsen, Bruce A.; Journal of the American Chemical Society; vol. 135; nb. 45; (2013); p. 16841 - 16844, View in Reaxys

1p

Bajracharya, Gan B.; Nogami, Tsutomu; Jin, Tienan; Matsuda, Kumiko; Gevorgyan, Vladimir; Yamamoto, Yoshinori; Synthesis; nb. 2; (2004); p. 308 - 311, View in Reaxys; Chen, Jiuxi; Peng, Yong; Liu, Miaochang; Ding, Jinchang; Su, Weike; Wu, Huayue; Advanced Synthesis and Catalysis; vol. 354; nb. 11-12; (2012); p. 2117 - 2122, View in Reaxys

149

Patent; Efficient Pharma Management Corporate; US2012/15908; (2012); (A1) English, View in Reaxys

4

Cho, Hyun-Hee; Kim, Seung-Hoi; Bulletin of the Korean Chemical Society; vol. 33; nb. 9; (2012); p. 3083 3086, View in Reaxys

2p

Mao, Wu Tao; Zhao, Hui; Fan, Zhi Jin; Ji, Xiao Tian; Hua, Xue Wen; Kalinina, Tatiana; Yury, Yu. Morzherin; Vasiliy, A. Bakulev; Chinese Chemical Letters; vol. 23; nb. 11; (2012); p. 1233 - 1236,4, View in Reaxys

start. to 1j

Hussain, Ibrar; Yawer, Mirza Arfan; Lau, Matthias; Pundt, Thomas; Fischer, Christine; Goerls, Helmar; Langer, Peter; European Journal of Organic Chemistry; nb. 3; (2008); p. 503 - 518, View in Reaxys

R'COCl, R'=1naphthyl

Somsak, Laszlo; Felfoeldi, Nora; Konya, Balint; Huese, Csaba; Telepo, Katalin; Bokor, Eva; Czifrak, Katalin; Carbohydrate Research; vol. 343; nb. 12; (2008); p. 2083 - 2093, View in Reaxys

educt of 6g

Shiigi, Hirofumi; Mori, Hiroyuki; Tanaka, Tomoaki; Demizu, Yosuke; Onomura, Osamu; Tetrahedron Letters; vol. 49; nb. 36; (2008); p. 5247 - 5251, View in Reaxys

48

Xu, Hanhui; Ekoue-Kovi, Kekeli; Wolf, Christian; Journal of Organic Chemistry; vol. 73; nb. 19; (2008); p. 7638 - 7650, View in Reaxys

2m

Rahn, Thomas; Nguyen, Van T. H.; Dang, T. H. Tam; Ahmed, Zafar; Methling, Karen; Lalk, Michael; Fischer, Christine; Spannenberg, Anke; Langer, Peter; Journal of Organic Chemistry; vol. 72; nb. 6; (2007); p. 1957 - 1961, View in Reaxys

educt to 4c

Wang, Chao; Mao, Guo-Liang; Wang, Zhi-Hui; Xi, Zhen-Feng; European Journal of Organic Chemistry; nb. 8; (2007); p. 1267 - 1273, View in Reaxys

1-naphthyl-COCl

Doszczak, Leszek; Rachon, Janusz; Journal of the Chemical Society. Perkin Transactions 1; nb. 10; (2002); p. 1271 - 1279, View in Reaxys; Kurz, Thomas; Geffken, Detlef; Wackendorff, Claudia; Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; vol. 58; nb. 5; (2003); p. 457 - 461,

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View in Reaxys; Yun, Zhi Zhang; Aouadi, Kaiss; Chen, Guo-Rong; Praly, Jean-Pierre; Synthesis; nb. 22; (2007); p. 3473 - 3488, View in Reaxys educt to 5e

El-Shaieb, Kamal M.; Heteroatom Chemistry; vol. 17; nb. 5; (2006); p. 365 - 368, View in Reaxys

to 19

Temelkoff, David P.; Smith, Craig R.; Kibler, Daniel A.; McKee, Shawn; Duncan, Sara J.; Zeller, Matthias; Hunsen, Mo; Norris, Peter; Carbohydrate Research; vol. 341; nb. 10; (2006); p. 1645 - 1656, View in Reaxys

α-C10H7COCl

Singh, Kamaljit; Singh, Sukhdeep; Tetrahedron Letters; vol. 47; nb. 46; (2006); p. 8143 - 8146, View in Reaxys

Tab.2.col.3.r. 28-30

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

13

Lee, Kyoungsoo; Maleczka Jr., Robert E.; Organic Letters; vol. 8; nb. 9; (2006); p. 1887 - 1888, View in Reaxys

19

Yu, Su; Rabalakos, Constantinos; Mitchell, William D.; Wulff, William D.; Organic Letters; vol. 7; nb. 3; (2005); p. 367 - 369, View in Reaxys

VIII <2>

Zajdel, Pawel; Subra, Gilles; Bojarski, Andrzej J.; Duszynska, Beata; Pawlowski, Maciej; Martinez, Jean; Bioorganic and Medicinal Chemistry; vol. 13; nb. 8; (2005); p. 3029 - 3035, View in Reaxys

naphthalen-1COCl

Rudrawar, Santosh; Kondaskar, Atul; Chakraborti, Asit K.; Synthesis; nb. 15; (2005); p. 2521 - 2526; Art.No: Z05105SS, View in Reaxys

1l

Chao, Ito; Chen, Ko-Wen; Hwang, Tsong-Song; Liu, Kwang-Ting; Journal of Physical Organic Chemistry; vol. 14; nb. 9; (2001); p. 591 - 596, View in Reaxys; Sugihara, Toru; Satoh, Tetsuya; Miura, Masahiro; Nomura, Masakatsu; Advanced Synthesis and Catalysis; vol. 346; nb. 13-15; (2004); p. 1765 - 1772, View in Reaxys

1-naphthylCOCl

Voznyi; Novikov; Khlebnikov; Kopf; Kostikov; Russian Journal of Organic Chemistry; vol. 40; nb. 2; (2004); p. 199 - 205, View in Reaxys

12j

Kantlehner, Willi; Haug, Erwin; Kinzy, Willy; Scherr, Oliver; Ivanov, Ivo C.; Zeitschrift fur Naturforschung Section B Journal of Chemical Sciences; vol. 59; nb. 4; (2004); p. 366 - 374, View in Reaxys

educt to 2

Kubo, Kanji; Miyazaki, Yoshihiro; Akutsu, Katsuhito; Sakurai, Tadamitsu; Heterocycles; vol. 51; nb. 5; (1999); p. 965 - 968, View in Reaxys; Okamoto, Akimitsu; Tainaka, Kazuki; Saito, Isao; Tetrahedron Letters; vol. 44; nb. 36; (2003); p. 6871 - 6874, View in Reaxys

1i

Bai, Lin; Li, Shengying; Wang, Jin-Xian; Chen, Mingkai; Synthetic Communications; vol. 32; nb. 1; (2002); p. 127 - 132, View in Reaxys; Yang, Feng-Yu; Shanmugasundaram, Muthian; Chuang, Shih-Yih; Ku, Po-Jen; Wu, Ming-Yuan; Cheng, Chien-Hong; Journal of the American Chemical Society; vol. 125; nb. 41; (2003); p. 12576 - 12583, View in Reaxys

educt of 70

Bursi, Roberta; Grootenhuis, Arijan; Van Der Louw, Jaap; Verhagen, Jos; De Gooyer, Marcel; Jacobs, Peter; Leysen, Dirk; Steroids; vol. 68; nb. 3; (2003); p. 213 - 220, View in Reaxys

ArCOCl, b

Qi, Yanxing; Gao, Haixiang; Yang, Min; Xia, Chun-Gu; Suo, Jishuan; Synthetic Communications; vol. 33; nb. 7; (2003); p. 1073 - 1079, View in Reaxys

2g

Nishiyama, Yutaka; Kawamatsu, Hiroaki; Funato, Saori; Tokunaga, Keiji; Sonoda, Noboru; Journal of Organic Chemistry; vol. 68; nb. 9; (2003); p. 3599 - 3602, View in Reaxys; Wang; Wei; Huang; Hu; Bai; Synthetic Communications; vol. 31; nb. 21; (2001); p. 3337 - 3343, View in Reaxys

starting to 6d-f

Chen, Jack J.; Deshpande, Seema V.; Tetrahedron Letters; vol. 44; nb. 49; (2003); p. 8873 - 8876, View in Reaxys

RCOCl for 3b

Wang, Xiaowei; Adachi, Shinya; Iwai, Hiroyoshi; Takatsuki, Hiroshi; Fujita, Katsuhiro; Kubo, Mikako; Oku, Akira; Harada, Toshiro; Journal of Organic Chemistry; vol. 68; nb. 26; (2003); p. 10046 - 10057, View in Reaxys

educt to 7

Ryu, Ilhyong; Ikebe, Masanobu; Sonoda, Noboru; Yamato, Shin-Ya; Yamamura, Go-Hei; Komatsu, Mitsuo; Tetrahedron Letters; vol. 43; nb. 7; (2002); p. 1257 - 1259, View in Reaxys

educt of 12

Zaramella, Simone; Stroemberg, Roger; Yeheskiely, Esther; European Journal of Organic Chemistry; nb. 15; (2002); p. 2633 - 2639, View in Reaxys

educt to 18, 19

Bragg, Ryan A; Clayden, Jonathan; Bladon, Michael; Ichihara, Osamu; Tetrahedron Letters; vol. 42; nb. 20; (2001); p. 3411 - 3414, View in Reaxys

2, R2=1-naphthyl

Loghmani-Khouzani, Hossein; Sadeghi, Majid M.; Safari, Javad; Minaeifar, Alireza; Tetrahedron Letters; vol. 42; nb. 26; (2001); p. 4363 - 4364, View in Reaxys

3i

Wang; Wei; Hu; Liua; Kang; Journal of Chemical Research - Part S; nb. 4; (2001); p. 146 - 147, View in Reaxys

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2i

Wang; Wei; Hu; Liu; Fu; Synthetic Communications; vol. 31; nb. 22; (2001); p. 3527 - 3532, View in Reaxys

15

Andrus, Merritt B.; Soma Sekhar; Journal of Heterocyclic Chemistry; vol. 38; nb. 6; (2001); p. 1265 - 1271, View in Reaxys

1f

Gevorgyan; Rubin; Liu; Yamamoto; Journal of Organic Chemistry; vol. 66; nb. 5; (2001); p. 1672 - 1675, View in Reaxys

1-Naphthyl-COCl

Doszczak; Rachon; Chemical Communications; nb. 21; (2000); p. 2093 - 2094, View in Reaxys

20c

Brunner, Henri; Schmidt, Peter; European Journal of Organic Chemistry; nb. 11; (2000); p. 2119 - 2133, View in Reaxys

3a

Bishop, Anthony C.; Kung, Chi-Yun; Shah, Kavita; Witucki, Laurie; Shokat, Kevan M.; Liu, Yi; Journal of the American Chemical Society; vol. 121; nb. 4; (1999); p. 627 - 631, View in Reaxys

entry 11

Cavallaro, Cullen L.; Herpin, Timothy; McGuinness, Brian F.; Shimshock, Yvonne Class; Dolle, Roland E.; Tetrahedron Letters; vol. 40; nb. 14; (1999); p. 2711 - 2714, View in Reaxys

educt to 2k

Fujio, Masakazu; Tanaka, Masakazu; Wu, Xiao-Ming; Funakoshi, Kazuhisa; Sakai, Kiyoshi; Suemune, Hiroshi; Chemistry Letters; nb. 9; (1998); p. 881 - 882, View in Reaxys

8

Nicolaou, Ioannis; Demopoulos, Vassilis J.; Journal of Heterocyclic Chemistry; vol. 35; nb. 6; (1998); p. 1345 - 1348, View in Reaxys

RCl, R = 1Naphth-CO

Groaning, Michael D.; Rowe, Bradley J.; Spilling, Christopher D.; Tetrahedron Letters; vol. 39; nb. 31; (1998); p. 5485 - 5488, View in Reaxys

prot. reag., tab. II/6

Wakita, Hisanori; Hosono, Yutaka; Nagase, Hiroshi; Heterocycles; vol. 48; nb. 12; (1998); p. 2559 - 2571, View in Reaxys

Patent-Specific Data (11) Prophetic ComLocation in Patent References pound Patent; China Pharmaceutical University; Nanjing Ying Hai Yue Biological Technology Co., Ltd.; Zhou Changlin; Jin Jing; Zhang Huixin; Dou Jie; Wang Dechuan; Jia Yuanbin; (18 pag.); CN106432031; (2017); (A) Chinese, View in Reaxys Patent; CELLADON CORPORATION; DAHL, Russell; (305 pag.); WO2016/32569; (2016); (A1) English, View in Reaxys Patent; UNIVERSITAET DES SAARLANDES; HUY, Peter Helmut; (208 pag.); WO2016/202894; (2016); (A1) English, View in Reaxys Page/Page column

Patent; Randox Laboratories Ltd.; Fitzgerald, Stephen Peter; Innocenzi, Paul John; Lowry, Philip Andrew; McConnell, Ivan Robert; Benchikh, Elouard; EP2698385; (2014); (A1) English, View in Reaxys; Patent; Lamarre, Daniel; US2015/133495; (2015); (A1) English, View in Reaxys Patent; Brock Unviersity; Nikonov, Georgii; Gutsulyak, Dmitry; Lee, Sun Hwa; US2014/228579; (2014); (A1) English, View in Reaxys Patent; ALMIRALL, S.A.; GRIMA POVEDA, Pedro Manuel; AGUILAR IZQUIERDO, Nuria; MIR CEPEDA, Marta; LOPEZ MARTINEZ, Manuel; WO2010/43377; (2010); (A1) English, View in Reaxys Patent; NOVARTIS AG; BEHNKE, Dirk; BETSCHART, Claudia; COTESTA, Simona; GERSPACHER, Marc; HINTERMANN, Samuel; ROY, Bernard Lucien; VON MATT, Anette; WAGNER, Juergen; WO2010/86366; (2010); (A1) English, View in Reaxys Patent; PIERRE FABRE MEDICAMENT; PEREZ, Michel; LAMOTHE, Marie; JUNQUERO, Didier; RIVAL, Yves; WO2010/100139; (2010); (A1) English, View in Reaxys

prophetic product

Claim

Patent; Chimie, Rhodia; US6608232; (2003); (B1) English, View in Reaxys Patent; Dibra S.p.A.; US6337064; (2002); (B1) English, View in Reaxys

prophetic product

Patent; American Cyanamid Company; US4288592; (1981); (A1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

3.561

H Bond Donors

0

H Bond Acceptors

1

Rotatable Bonds

1

5/9

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TPSA

17.07

Lipinski Number

4

Veber Number

2

Derivative (2) Comment (Derivative)

References

Anilid

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys

Freie Saeure

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys

Melting Point (5) 1 of 5

Melting Point [°C]

18 - 19

Solvent (Melting Point)

isopropyl alcohol

Gonec, Tomas; Kos, Jiri; Nevin, Eoghan; Govender, Rodney; Pesko, Matus; Tengler, Jan; Kushkevych, Ivan; Stastna, Vendula; Oravec, Michal; Kollar, Peter; O'mahony, Jim; Kralova, Katarina; Coffey, Aidan; Jampilek, Josef; Molecules; vol. 19; nb. 7; (2014); p. 10386 - 10409, View in Reaxys 2 of 5

Melting Point [°C]

20

Pope; Winmill; Journal of the Chemical Society; vol. 101; (1912); p. 2311,2318, View in Reaxys; Grekov; Trudy IREA; (1961); p. 131; Chem.Abstr.; vol. 58; nb. 3418a; (1963), View in Reaxys 3 of 5

Melting Point [°C]

26

Bell; Journal of the Chemical Society; (1930); p. 1981,1984, View in Reaxys 4 of 5

Melting Point [°C]

22

Shoesmith; Guthrie; Journal of the Chemical Society; (1928); p. 2332, View in Reaxys 5 of 5

Melting Point [°C]

21.5 - 22

McKenzie; Ritchie; Biochemische Zeitschrift; 231; <1931> 412, 417, View in Reaxys Boiling Point (10) Boiling Point [°C] Pressure (Boiling Point) [Torr]

References

128 - 131

3

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys; Ol'dekop et al.; Doklady Chemistry; vol. 139; (1961); p. 862; Doklady Akademii Nauk SSSR; vol. 139; (1961); p. 1383, View in Reaxys

163 - 168

10

Grekov; Trudy IREA; (1961); p. 131; Chem.Abstr.; vol. 58; nb. 3418a; (1963), View in Reaxys

145

2

Frank; Blegen; Deutschman; Journal of Polymer Science; vol. 3; (1948); p. 58,60, View in Reaxys

190

35

Pummerer et al.; Justus Liebigs Annalen der Chemie; vol. 503; (1933); p. 40,52, View in Reaxys

163

10

Schmidlin; Garcia-Banus; Chemische Berichte; vol. 45; (1912); p. 3189, View in Reaxys; Bell; Journal of the Chemical Society; (1930); p. 1981,1984, View in Reaxys

187

23

Raiford; Greider; Journal of the American Chemical Society; vol. 46; (1924); p. 434, View in Reaxys

297

Raiford; Greider; Journal of the American Chemical Society; vol. 46; (1924); p. 434, View in Reaxys

168

10

Reddelien; Chemische Berichte; vol. 46; (1913); p. 2720; Chemische Berichte; vol. 48; (1915); p. 1469, View in Reaxys

172 - 173

15

v. Braun; Chemische Berichte; vol. 38; (1905); p. 180, View in Reaxys

297.5

Hofmann,A.W.; Chemische Berichte; vol. 1; (1868); p. 42, View in Reaxys

Refractive Index (1) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Refractive Index) [°C]

References

1.6473

21

Ol'dekop; Kalinina; J. Gen. Chem. USSR (Engl. Transl.); vol. 34; (1964); p. 3473,3515, View in Reaxys; Ol'dekop et al.; Doklady

589

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Chemistry; vol. 139; (1961); p. 862; Doklady Akademii Nauk SSSR; vol. 139; (1961); p. 1383, View in Reaxys Crystal Property Description (2) Colour & Other References Properties colourless

Gonec, Tomas; Kos, Jiri; Nevin, Eoghan; Govender, Rodney; Pesko, Matus; Tengler, Jan; Kushkevych, Ivan; Stastna, Vendula; Oravec, Michal; Kollar, Peter; O'mahony, Jim; Kralova, Katarina; Coffey, Aidan; Jampilek, Josef; Molecules; vol. 19; nb. 7; (2014); p. 10386 - 10409, View in Reaxys

light-yellow

Yu, Su; Rabalakos, Constantinos; Mitchell, William D.; Wulff, William D.; Organic Letters; vol. 7; nb. 3; (2005); p. 367 - 369, View in Reaxys

Electrochemical Characteristics (2) 1 of 2

Description (Electrochemical Characteristics)

redox potential

Comment (Electrochem- 1.35 V; Product: /BRN= 4383164/. No. of transm. electrons: 1. Method: potentiometry ical Characteristics) Product

C11H7O

Occhialini, Donatella; Daasbjerg, Kim; Lund, Henning; Acta Chemica Scandinavica; vol. 47; nb. 11; (1993); p. 1100 - 1106, View in Reaxys 2 of 2

Description (Electrochemical Characteristics)

polarographic half-wave potential

Solvent (Electrochemical Characteristics)

acetone

Temperature (Electrochemical Characteristics) [°C]

18

Comment (Electrochem- -1.2 V; Product: /BRN= 4383164/. No. of transm. electrons: 1. Method: polarography. Deical Characteristics) scription: LiClO4 Product

C11H7O

Guirado, A.; Barba, F.; Manzanera, C; Velasco, M. D.; Journal of Organic Chemistry; vol. 47; nb. 1; (1982); p. 142 - 144, View in Reaxys Further Information (1) Description (Fur- References ther Information) Further information

Claverie; Garrigou-Lagrange; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 61; (1964); p. 889,896-902, View in Reaxys

NMR Spectroscopy (5) 1 of 5

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

1H

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

500

Location

supporting information

Quesnel, Jeffrey S.; Arndtsen, Bruce A.; Journal of the American Chemical Society; vol. 135; nb. 45; (2013); p. 16841 - 16844, View in Reaxys 2 of 5

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

13C

Solvents (NMR Spectro- chloroform-d1 scopy)

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Frequency (NMR Spectroscopy) [MHz]

126

Location

supporting information

Quesnel, Jeffrey S.; Arndtsen, Bruce A.; Journal of the American Chemical Society; vol. 135; nb. 45; (2013); p. 16841 - 16844, View in Reaxys 3 of 5

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

13C

Solvents (NMR Spectro- CDCl3 scopy) Chao, Ito; Chen, Ko-Wen; Hwang, Tsong-Song; Liu, Kwang-Ting; Journal of Physical Organic Chemistry; vol. 14; nb. 9; (2001); p. 591 - 596, View in Reaxys 4 of 5

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

17O

Solvents (NMR Spectro- CCl4 scopy) Temperature (NMR Spectroscopy) [°C]

51

Frequency (NMR Spectroscopy) [MHz]

40.67

Chao, Ito; Chen, Ko-Wen; Hwang, Tsong-Song; Liu, Kwang-Ting; Journal of Physical Organic Chemistry; vol. 14; nb. 9; (2001); p. 591 - 596, View in Reaxys 5 of 5

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

13C

Forsyth,D.A. et al.; Journal of the American Chemical Society; vol. 98; nb. 9; (1976); p. 2512 - 2518, View in Reaxys IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

ATR (attenuated total reflectance); Bands

Location

supporting information

Quesnel, Jeffrey S.; Arndtsen, Bruce A.; Journal of the American Chemical Society; vol. 135; nb. 45; (2013); p. 16841 - 16844, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Spectrum

Al-Jallo; Jalhoom; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy; vol. 28; (1972); p. 1655,1658, View in Reaxys Luminescence Spectroscopy (2) Description (LuReferences minescence Spectroscopy) Luminescence quantum yield

Kitamura; Baba; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 1191,1192, 1193, View in Reaxys

Luminescence lifetime

Kitamura; Baba; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 1191,1192, 1193, View in Reaxys

Fluorescence Spectroscopy (1) Description (Fluo- References rescence Spectroscopy)

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Fluorescence

Kitamura; Baba; Bulletin of the Chemical Society of Japan; vol. 48; (1975); p. 1191,1192, 1193, View in Reaxys

Medchem (1) 1 of 1

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Biological Species/NCBI Sclerotinia sclerotiorum ID Substance RN

775785View in Reaxys

Substance Name

1-naphthoyl chloride

Measurement Parameter

IC50

Unit

μM

Quantitative value

54.79

Measurement pX

4.26

Huang, Lie-Jun; Wang, Bin; Zhang, Jian-Xin; Yuan, Chun-Mao; Gu, Wei; Mu, Shu-Zhen; Hao, Xiao-Jiang; Bioorganic and Medicinal Chemistry Letters; vol. 26; nb. 8; (2016); p. 2040 - 2043, View in Reaxys

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