Reaxys
PubChem
eMolecules
Reactions (245)
Substances (5)
Structure
Citations (144)
Structure/Compound Data Chemical Name: 3'-chloro-propiophenone Reaxys Registry Number: 2043575
CAS Registry Number: 34841-35-5 Type of Substance: isocyclic Molecular Formula: C9H9ClO Linear Structure Formula: C9H9ClO Molecular Weight: 168.623
InChI Key: PQWGFUFROKIJBO-UHFFFAOYSA-N
1
N° of preparations All Preps | All Reactions 15 prep out of 238 reactions.
Synthesize | Hide Details Find similar Chemical Names and Synonyms 3'-chloro-propiophenone, 3'-chloropropiophenone, m-chloro-propiophenone, 1-oxo-1-(3-chlorophenyl)propane, 1-(3-chlorophenyl)propan-1-one, 3'chlorophenyl propanone, m-chloropropiophenone Identification Substance Label (25) Label
Reference
2
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Available Data
N° of ref.
Identification Physical Data (9) Spectra (6) Bioactivity (10)
143
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I
Zhang, Wei
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2k
Varun, Begur Vasanthkumar; Gadde, Karthik; Prabhu, Kandikere Ramaiah
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1
EOS ECZACIBASI OZGUN KIMYASAL URUNLER SANAYI VE TICARET A.S.
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SOSEI R and D LTD.
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Zhu, Cuiju; Zhang, Yuanfei; Zhao, Huaiqing; Huang, Shijun; Zhang, Min; Su, Weiping
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Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah
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9
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1h
Liang, Yu-Feng; Wu, Kai; Song, Song; Li, Xinyao; Huang, Xiaoqiang; Jiao, Ning
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2f
Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra
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5d
Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah
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2o
Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, Qiang-Qiang; Ning, Xiao-Shan; Kang, Yan-Biao; Tang, Yong
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1e
Jiang, Jian-An; Huang, Wei-Bin; Zhai, Jiao-Jiao; Liu, Hong-Wei; Cai, Qi; Xu, Liu-Xin; Wang, Wei; Ji, Ya-Fei
Tetrahedron, 2013 , vol. 69, # 2 p. 627 - 635 Title/Abstract Full Text View citing articles Show Details
Chan, Louis K. M.; Poole, Darren L.; Shen, Di; Healy, Mark P.; Donohoe, Timothy J.
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4a
Blough, Bruce E.; Landavazo, Antonio; Partilla, John S.; Baumann, Michael H.; Decker, Ann M.; Page, Kevin M.; Rothman, Richard B.
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4e
Huang, Xiaoqiang; Li, Xinyao; Zou, Miancheng; Song, Song; Tang, Conghui; Yuan, Yizhi; Jiao, Ning
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38i
Mori, Yutaka; Ogawa, Yasuyuki; Mochizuki, Akiyoshi; Nakamura, Yuji; Fujimoto, Teppei; Sugita, Chie; Miyazaki, Shojiro; Tamaki, Kazuhiko; Nagayama, Takahiro; Nagai, Yoko; Inoue, Shin-Ichi; Chiba, Katsuyoshi; Nishi, Takahide
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8a
RESEARCH TRIANGLE INSTITUTE; CARROLL, F. Ivy; BLOUGH, Bruce E.; NAVARRO, Hernan A.; MASCARELLA, S. Wayne; MURESAN, Ana Zamfira; DAMAJ, M. Imad; LUKAS, Ronald J.
Patent: WO2011/146821 A2, 2011 ; Title/Abstract Full Text Show Details
20
CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ;
Title/Abstract Full Text Show Details
ALEMBIC LIMITED
Patent: WO2008/99418 A2, 2008 ;
IV
Title/Abstract Full Text Show Details
3f
Mori, Yoshikazu; Seki, Masahiko
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Salvi, Neeta A.; Chattopadhyay, Subrata
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1g(4),R1=3-ClPh R2=CH3
Su, Weike; Jin, Can
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9 (Tab.2, run 6)
Justik, Michael W.
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1d
Horiuchi, Yoshihiro; Gnanadesikan, Vijay; Ohshima, Takashi; Masu, Hyuma; Katagiri, Kosuke; Sei, Yoshihisa; Yamaguchi, Kentaro; Shibasaki, Masakatsu
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Label
Reference
4d
Gnanadesikan, Vijay; Horiuchi, Yoshihiro; Ohshima, Takashi; Shibasaki, Masakatsu
Journal of the American Chemical Society, 2004 , vol. 126, # 25 p. 7782 - 7783 Title/Abstract Full Text View citing articles Show Details
subs., Tab.1, entry 7
De Parrodi, Cecilia Anaya; Walsh, Patrick J.
Synlett, 2004 , # 13 p. 2417 - 2420 Title/Abstract Full Text View citing articles Show Details
3e
Mori, Yoshikazu; Seki, Masahiko
Tetrahedron Letters, 2004 , vol. 45, # 39 p. 7343 - 7345 Title/Abstract Full Text View citing articles Show Details
2b
Demir, Ayhan S.; Hamamci, Haluk; Sesenoglu, Ozge; Aydogan, Feray; Capanoglu, Doga; Neslihanoglu, Rahsan
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4
Fang, Qun K.; Han, Zhengxu; Grover, Paul; Kessler, Donald; Senanayake, Chris H.; Wald, Stephen A.
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Patent-Specific Data (2) Related Markush Structure (RN)
Reference
29926617
Zhang, Wei
Patent: CN105348059 A, 2016 ; Title/Abstract Full Text Show Details
19820967
Walsh, Patrick J.
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Derivative (1) Comment (Derivative)
Reference
Semicarbazon: F: 181 - 183grad (unkorr.)
Warner et al.
Journal of the Chemical Society, 1962 , p. 1232 Full Text Show Details
Physical Data
Melting Point (7) Melting Point
Solvent (Melting Point)
Reference
46 - 48 °C
Marques, Carlos Alberto; Selva, Maurizio; Tundo, Pietro
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46 - 47 °C
Montgomery,F.C.; Saunders,W.H.
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44.5 - 45.5 °C
Nelson,K.L. et al.
Journal of the American Chemical Society, 1964 , vol. 86, p. 684 - 687 Full Text View citing articles Show Details
ethanol
43 - 45 °C
Warner et al.
Journal of the Chemical Society, 1962 , p. 1232 Full Text Show Details
48 - 49 °C
Keneford et al.
Journal of the Chemical Society, 1948 , p. 358,359 Journal of the Chemical Society, 1950 , p. 1110,1111 Full Text Show Details
Zenitz; Hartung
Journal of Organic Chemistry, 1946 , vol. 11, p. 444,447 Full Text Show Details
aq. ethanol
Zenitz; Hartung
Journal of Organic Chemistry, 1946 , vol. 11, p. 444,447 Full Text Show Details
45 - 46 °C
Boiling Point (1) Boiling Point
Pressure (Boiling Point)
Reference
124 °C
14 Torr
Keneford et al.
Journal of the Chemical Society, 1948 , p. 358,359 Journal of the Chemical Society, 1950 , p. 1110,1111 Full Text Show Details
Crystal Property Description (1) Colour & Other Properties colourless
Location
Reference
supporting information
Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, Qiang-Qiang; Ning, Xiao-Shan; Kang, Yan-Biao; Tang, Yong
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Spectra NMR Spectroscopy (2) Description (NMR Spectroscopy)
Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
Frequency (NMR Spectroscopy)
Chemical shifts Spectrum
1H
chloroform-d1
400 MHz
Chemical shifts
1H
CDCl3
400 MHz
Location
Reference
supporting information
Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, QiangQiang; Ning, Xiao-Shan; Kang, Yan-Biao; Tang, Yong
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Mori, Yoshikazu; Seki, Masahiko
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IR Spectroscopy (2) Description (IR Spectroscopy)
Reference
Bands
Mori, Yoshikazu; Seki, Masahiko
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Title/Abstract Full Text View citing articles Show Details
Mori, Yoshikazu; Seki, Masahiko
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Reflection spectrum
Mass Spectrometry (1) Description (Mass Spectrometry)
Reference
spectrum electron impact (EI)
Marques, Carlos Alberto; Selva, Maurizio; Tundo, Pietro
Journal of Organic Chemistry, 1994 , vol. 59, # 14 p. 3830 - 3837 Title/Abstract Full Text View citing articles Show Details
Luminescence Spectroscopy (1) Description (Luminescence Spectroscopy)
Reference
Emission spectrum in the infrared region
Hrdlovic et al.
European Polymer Journal, 1979 , vol. 15, p. 229,231 Full Text Show Details
Bioactivity Pharmacological Data (10) 1 of 10
Comment (Pharmacological Data)
Bioactivities present
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2 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
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3 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
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4 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
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University of Kentucky Research Foundation
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5 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
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Saiz-Urra, Liane; Perez, Antonio J. Bustillo; Cruz-Monteagudo, Maykel; Pinedo-Rivilla, Cristina; Aleu, Josefina; HernandezGalan, Rosario; Collado, Isidro G.
Journal of Agricultural and Food Chemistry, 2009 , vol. 57, # 11 p. 4838 - 4843 Title/Abstract Full Text View citing articles Show Details
Reddy, Y. Thirupathi; Reddy, P. Narsimha; Reddy, M. Nikhil; Rajitha; Crooks, Peter A.
Synthetic Communications, 2010 , vol. 40, # 11 p. 1566 - 1573 Title/Abstract Full Text View citing articles Show Details
Chang, Lu; Kuang, Yulong; Qin, Bo; Zhou, Xin; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Organic Letters, 2010 , vol. 12, # 10 p. 2214 - 2217 Title/Abstract Full Text View citing articles Show Details
Lukas, Ronald J.; Muresan, Ana Z.; Damaj, M. Imad; Blough, Bruce E.; Huang, Xiaodong; Navarro, Hernan A.; Mascarella, S. Wayne; Eaton, J. Brek; Marxer-Miller, Syndia K.; Carroll, F. Ivy
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Meyer, Adam Gerhard; Winzenberg, Kevin Norman; Sawutz, David G.; Liepa, Andris Juris
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RESEARCH TRIANGLE INSTITUTE; CARROLL, Frank Ivy; BLOUGH, Bruce; ABRAHAM, Philip
Patent: WO2010/121022 A1, 2010 ; Title/Abstract Full Text Show Details
KYOWA HAKKO KOGYO CO., LTD.; FUJI PHOTO FILM CO., LTD.
Patent: WO2006/137490 A1, 2006 ; Title/Abstract Full Text Show Details
KYOWA HAKKO KOGYO CO., LTD.; Fujifilm Corporation
Patent: EP1870404 A1, 2007 ; Title/Abstract Full Text Show Details
Roy, David; Mom, Sophal; Beauperin, Matthieu; Doucet, Henri; Hierso, Jean-Cyrille
Angewandte Chemie - International Edition, 2010 , vol. 49, # 37 p. 6650 - 6654 Title/Abstract Full Text View citing articles Show Details
6 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
Liu, Jin; Wang, Chuanxin; Wu, Liansheng; Liang, Fen; Huang, Guosheng
Synthesis, 2010 , # 24 art. no. F14310SS, p. 4228 - 4234 Title/Abstract Full Text View citing articles Show Details
Yeung, Pui Yee; So, Chau Ming; Lau, Chak Po; Kwong, Fuk Yee
Organic Letters, 2011 , vol. 13, # 4 p. 648 - 651 Title/Abstract Full Text View citing articles Show Details
Sun, Tian; Hou, Guohua; Ma, Miaofeng; Zhang, Xumu
Advanced Synthesis and Catalysis, 2011 , vol. 353, # 2-3 p. 253 - 256 Title/Abstract Full Text View citing articles Show Details
Hayat, Faisal; Moseley, Emma; Salahuddin, Attar; Van Zyl, Robyn L.; Azam, Amir
European Journal of Medicinal Chemistry, 2011 , vol. 46, # 5 p. 1897 - 1905 Title/Abstract Full Text View citing articles Show Details
GLAXOSMITHKLINE LLC; BROOKS, Carl, A.; CHEUNG, Mui; EIDAM, Hilary, S.; FOX, Ryan, M; HILFKER, Mark, A.; MANAS, Eric, S.; YE, Guosen
Patent: WO2011/119704 A1, 2011 ; Title/Abstract Full Text Show Details
Jiang, Cheng; Yang, Lei; Wu, Wu-Tong; Guo, Qing-Long; You, Qi-Dong
Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 18 p. 5612 - 5627 Title/Abstract Full Text View citing articles Show Details
RESEARCH TRIANGLE INSTITUTE; CARROLL, F. Ivy; BLOUGH, Bruce E.; NAVARRO, Hernan A.; MASCARELLA, S. Wayne; MURESAN, Ana Zamfira; DAMAJ, M. Imad; LUKAS, Ronald J.
Patent: WO2011/146821 A2, 2011 ; Title/Abstract Full Text Show Details
Hamed, Othman A.; El-Qisairi, Arab; Qaseer, Hanan; Hamed, Emad M.; Henry, Patrick M.; Becker, Daniel P.
Tetrahedron Letters, 2012 , vol. 53, # 22 p. 2699 - 2701 Title/Abstract Full Text View citing articles Show Details
Zhou, Jun; Wu, Ge; Zhang, Min; Jie, Xiaoming; Su, Weiping
Chemistry - A European Journal, 2012 , vol. 18, # 26 p. 8032 - 8036 Title/Abstract Full Text View citing articles Show Details
Beckendorf, Stephan; Mancheno, Olga Garcia
Synthesis (Germany), 2012 , vol. 44, # 14 art. no. SS-2012-C0311-ST, p. 2162 - 2172 Title/Abstract Full Text View citing articles Show Details
Shang, Yaping; Jie, Xiaoming; Zhou, Jun; Hu, Peng; Huang, Shijun; Su, Weiping
Angewandte Chemie - International Edition, 2013 , vol. 52, # 4 p. 1299 - 1303 Angew. Chem., 2013 , vol. 125, # 4 p. 1337 - 1341,5 Title/Abstract Full Text View citing articles Show Details
Chae, Eunhee; Shin, Yong-Je; Ryu, Eun-Ju; Ji, Mi Kyung; Ryune Cho, Nahm; Lee, Ki-Ho; Jeong, Hyun Ji; Kim, Soo-Jin; Choi, Yeonjung; Seok Oh, Kyung; Park, Chun-Eung; Soo Yoon, Young
Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 7 p. 2134 - 2139 Title/Abstract Full Text View citing articles Show Details
Jiang, Jian-An; Huang, Wei-Bin; Zhai, Jiao-Jiao; Liu, Hong-Wei; Cai, Qi; Xu, Liu-Xin; Wang, Wei; Ji, Ya-Fei
Tetrahedron, 2013 , vol. 69, # 2 p. 627 - 635 Title/Abstract Full Text View citing articles Show Details
Mori, Yutaka; Ogawa, Yasuyuki; Mochizuki, Akiyoshi; Nakamura, Yuji; Fujimoto, Teppei; Sugita, Chie; Miyazaki, Shojiro; Tamaki, Kazuhiko; Nagayama, Takahiro; Nagai, Yoko; Inoue, Shin-Ichi; Chiba, Katsuyoshi; Nishi, Takahide
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Chan, Louis K. M.; Poole, Darren L.; Shen, Di; Healy, Mark P.; Donohoe, Timothy J.
Angewandte Chemie - International Edition, 2014 , vol. 53, # 3 p. 761 - 765 Angew. Chem., 2014 , vol. 126, # 3 p. 908 Title/Abstract Full Text View citing articles Show Details
Blough, Bruce E.; Landavazo, Antonio; Partilla, John S.; Baumann, Michael H.; Decker, Ann M.; Page, Kevin M.; Rothman, Richard B.
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Huang, Xiaoqiang; Li, Xinyao; Zou, Miancheng; Song, Song; Tang, Conghui; Yuan, Yizhi; Jiao, Ning
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Angeles-Dunham, Veronica V.; Nickerson, David M.; Ray, Devin M.; Mattson, Anita E.
Angewandte Chemie - International Edition, 2014 , vol. 53, # 52 p. 14538 - 14541 Angew. Chem., 2014 , vol. 126, # 52 p. 14766 - 14769,4 Title/Abstract Full Text View citing articles Show Details
Zhu, Cuiju; Zhang, Yuanfei; Zhao, Huaiqing; Huang, Shijun; Zhang, Min; Su, Weiping
Advanced Synthesis and Catalysis, 2015 , vol. 357, # 2-3 p. 331 - 338 Title/Abstract Full Text View citing articles Show Details
Quan, Xu; Kerdphon, Sutthichat; Andersson, Pher G.
Chemistry - A European Journal, 2015 , vol. 21, # 9 p. 3576 - 3579 Title/Abstract Full Text View citing articles Show Details
7 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
Liang, Yu-Feng; Wu, Kai; Song, Song; Li, Xinyao; Huang, Xiaoqiang; Jiao, Ning
Organic Letters, 2015 , vol. 17, # 4 p. 876 - 879 Title/Abstract Full Text View citing articles Show Details
Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra
European Journal of Organic Chemistry, 2015 , vol. 2015, # 14 p. 3135 - 3140 Title/Abstract Full Text View citing articles Show Details
Zhang, Zhenhua; Du, Haifeng
Organic Letters, 2015 , vol. 17, # 11 p. 2816 - 2819 Title/Abstract Full Text View citing articles Show Details
Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah
Organic and Biomolecular Chemistry, 2015 , vol. 13, # 24 p. 6749 - 6753 Title/Abstract Full Text View citing articles Show Details
Ojha, Devi Prasan; Prabhu, Kandikere Ramaiah
Organic Letters, 2015 , vol. 17, # 1 p. 18 - 21 Title/Abstract Full Text View citing articles Show Details
Sharif, Sepideh; Rucker, Richard P.; Chandrasoma, Nalin; Mitchell, David; Rodriguez, Michael J.; Froese, Robert D. J.; Organ, Michael G.
Angewandte Chemie - International Edition, 2015 , vol. 54, # 33 p. 9507 - 9511 Angew. Chem., 2015 , vol. 127, # 33 p. 9643 - 9647,5 Title/Abstract Full Text View citing articles Show Details
Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah
Organic and Biomolecular Chemistry, 2015 , vol. 13, # 48 p. 11651 - 11656 Title/Abstract Full Text View citing articles Show Details
Zheng, Hong-Xing; Xiao, Zu-Feng; Yao, Chuan-Zhi; Li, Qiang-Qiang; Ning, Xiao-Shan; Kang, Yan-Biao; Tang, Yong
Organic Letters, 2015 , vol. 17, # 24 p. 6102 - 6105
Title/Abstract Full Text View citing articles Show Details
Zhang, Zhenhua; Du, Haifeng
Organic Letters, 2015 , vol. 17, # 24 p. 6266 - 6269 Title/Abstract Full Text View citing articles Show Details
López-Iglesias, María; Méndez-Sánchez, Daniel; Gotor-Fernández, Vicente
Current Organic Chemistry, 2016 , vol. 20, # 11 p. 1204 - 1221 Title/Abstract Full Text View citing articles Show Details
Javidnia; Faghih-Mirzaei; Miri; Attarroshan; Zomorodian
Indian Journal of Pharmaceutical Sciences, 2016 , vol. 78, # 1 p. 73 - 79 Title/Abstract Full Text View citing articles Show Details
Fu, Wai Chung; Zhou, Zhongyuan; Kwong, Fuk Yee
Organometallics, 2016 , vol. 35, # 10 p. 1553 - 1558 Title/Abstract Full Text View citing articles Show Details
Saikia, Indranirekha; Borah, Arun Jyoti; Phukan, Prodeep
Chemical Reviews, 2016 , vol. 116, # 12 p. 6837 - 7042 Title/Abstract Full Text View citing articles Show Details
Chen, Jiajia; Guo, Wei; Wang, Zhenrong; Hu, Lin; Chen, Fan; Xia, Yuanzhi
Journal of Organic Chemistry, 2016 , vol. 81, # 13 p. 5504 - 5512 Title/Abstract Full Text View citing articles Show Details
Varun, Begur Vasanthkumar; Gadde, Karthik; Prabhu, Kandikere Ramaiah
Organic and Biomolecular Chemistry, 2016 , vol. 14, # 32 p. 7665 - 7670 Title/Abstract Full Text View citing articles Show Details
Wen, Genfa; Su, Yingpeng; Zhang, Guoxiang; Lin, Qiqiao; Zhu, Yujin; Zhang, Qianqian; Fang, Xinqiang
Organic Letters, 2016 , vol. 18, # 16 p. 3980 - 3983 Title/Abstract Full Text Show Details
Qin, Fengyu; Qin, Bin; Mori, Takahiro; Wang, Yan; Meng, Lingxin; Zhang, Xin; Jia, Xian; Abe, Ikuro; You, Song
ACS Catalysis, 2016 , vol. 6, # 9 p. 6135 - 6140 Title/Abstract Full Text Show Details
López-Iglesias, Maria; Méndez-Sánchez, Daniel; Gotor-Fernández, Vicente
Current Organic Chemistry, 2016 , vol. 20, # 11 p. 1204 - 1221 Title/Abstract Full Text Show Details
Zhang, Wei
Patent: CN105348059 A, 2016 ; Title/Abstract Full Text Show Details
Ghorpade, Archana K.; Huddar, Sameerana N.; Akamanchi, Krishnacharya G.
Tetrahedron Letters, 2016 , vol. 57, # 44 p. 4918 - 4921 Title/Abstract Full Text Show Details
8 of 10
9 of 10
Comment (Pharmacological Data)
Bioactivities present
Reference
Siddaraju, Yogesh; Prabhu, Kandikere Ramaiah
Organic Letters, 2016 , vol. 18, # 23 p. 6090 - 6093 Title/Abstract Full Text Show Details
Xu, Jing-Wen; Ji, Peng-Yi; Liu, Yu-Feng; Luo, Wei-Ping; Liu, Qiang; Guo, Can-Cheng
European Journal of Organic Chemistry, 2017 , vol. 2017, # 3 p. 734 - 740 Title/Abstract Full Text Show Details
Yamauchi, Daisuke; Nishimura, Takahiro; Yorimitsu, Hideki
Chemical Communications, 2017 , vol. 53, # 18 p. 2760 - 2763 Title/Abstract Full Text Show Details
Effect (Pharmacological Data)
antifungal
Species or TestSystem (Pharmacological Data)
Botrytis cinerea
Concentration (Pharmacological Data)
50 - 150 μg/ml
Kind of Dosing (Pharmacological Data)
dissolved in EtOH
Further Details (Pharmacological Data)
radial growth inhibition on agar medium measured
Type (Pharmacological Data)
percent inhibition
Value of Type (Pharmacological Data)
26 - 91 percent
Reference
Saiz-Urra, Liane; Perez, Antonio J. Bustillo; Cruz-Monteagudo, Maykel; Pinedo-Rivilla, Cristina; Aleu, Josefina; HernandezGalan, Rosario; Collado, Isidro G.
Journal of Agricultural and Food Chemistry, 2009 , vol. 57, # 11 p. 4838 - 4843 Title/Abstract Full Text View citing articles Show Details
10 of 10
Effect (Pharmacological Data)
antifungal
Species or TestSystem (Pharmacological Data)
Colletotrichum gloeosporioides
Concentration (Pharmacological Data)
50 - 150 μg/ml
Kind of Dosing (Pharmacological Data)
dissolved in EtOH
Further Details (Pharmacological Data)
radial growth inhibition on agar medium measured
Type (Pharmacological Data)
percent inhibition
Value of Type (Pharmacological Data)
22 - 42 percent
Reference
Saiz-Urra, Liane; Perez, Antonio J. Bustillo; Cruz-Monteagudo, Maykel; Pinedo-Rivilla, Cristina; Aleu, Josefina; HernandezGalan, Rosario; Collado, Isidro G.
Journal of Agricultural and Food Chemistry, 2009 , vol. 57, # 11 p. 4838 - 4843 Title/Abstract Full Text View citing articles Show Details
Chemical Name: 1-(3-chlorophenyl)-2-d2-propan-1-one Reaxys Registry Number: 19542211
CAS Registry Number: 1184922-69-7 Molecular Formula: C9H9ClO Linear Structure Formula: C9H7(2)H2ClO
2
1 prep out of 2 reactions.
Molecular Weight: 170.607
InChI Key: PQWGFUFROKIJBO-CBTSVUPCSA-N
Synthesize | Hide Details Find similar Chemical Names and Synonyms 1-(3-chlorophenyl)-2-d2-propan-1-one Identification Substance Label (1) Label
Reference
21
CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ; Title/Abstract Full Text Show Details
Physical Data Crystal Property Description (1) Colour & Other Properties
Reference
white
CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ; Title/Abstract Full Text Show Details
Identification Physical Data (1) Spectra (1)
1
Spectra NMR Spectroscopy (1) Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
1H
chloroform-d1
Original Text (NMR Spectroscopy) 1H
NMR (CDCl3): δ 7.94-7.92 (m, IH), 7.85-7.81 (m, IH), 7.52 (m,
IH), 7.40 (m, IH), 1.21 (s, 3H)
Comment (NMR Spectroscopy) Signals given
Reference CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ; Title/Abstract Full Text Show Details
Reaxys Registry Number: 28510026
Molecular Formula: C9H9ClO Linear Structure Formula: C9H6(2)H3ClO
1 prep out of 2 reactions.
Identification
1
Reaxys Registry Number: 19542214
Molecular Formula: C9H9ClO Linear Structure Formula: C9H5(2)H4ClO
1 prep out of 2 reactions.
1
Chemical Name: 1-(3-chlorophenyl)-(propan-d5)-1-one
3 prep out of 4 reactions.
Identification Physical Data (1) Spectra (1)
2
Molecular Weight: 171.599
InChI Key: PQWGFUFROKIJBO-FIBGUPNXSA-N
3
Synthesize | Hide Details Find similar
Identification Substance Label (1) Label
Reference
2
Li, Jian; Tian, Lei; Zhang, Chi; Chen, Liqin
Journal of Labelled Compounds and Radiopharmaceuticals, 2015 , vol. 58, # 10 p. 411 - 413 Title/Abstract Full Text View citing articles Show Details
Molecular Weight: 172.591
InChI Key: PQWGFUFROKIJBO-MZCSYVLQSA-N
4
Synthesize Find similar
Reaxys Registry Number: 19542215
CAS Registry Number: 1184922-74-4 Molecular Formula: C9H9ClO Linear Structure Formula: C9H4(2)H5ClO 5
Molecular Weight: 173.583
InChI Key: PQWGFUFROKIJBO-ZBJDZAJPSA-N
Synthesize | Hide Details Find similar Chemical Names and Synonyms 1-(3-chlorophenyl)-(propan-d5)-1-one Identification Substance Label (2) Label
Reference
5
Li, Jian; Tian, Lei; Zhang, Chi; Chen, Liqin
Journal of Labelled Compounds and Radiopharmaceuticals, 2015 , vol. 58, # 10 p. 411 - 413 Title/Abstract Full Text View citing articles Show Details
26
CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ; Title/Abstract Full Text Show Details
Physical Data Crystal Property Description (1) Colour & Other Properties
Reference
white
CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ; Title/Abstract Full Text Show Details
Spectra NMR Spectroscopy (1) Nucleus (NMR Spectroscopy)
Solvents (NMR Spectroscopy)
1H
chloroform-d1
Original Text (NMR Spectroscopy)
Comment (NMR Spectroscopy)
1H
Signals given
NMR (CDCl3): δ 8.57 (s, IH), 8.40 (s, IH), 8.27 (s,
IH), 7.35 (s, IH).
Reference CONCERT PHARMACEUTICALS, INC.
Patent: WO2009/105218 A2, 2009 ; Title/Abstract Full Text Show Details