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871587-53-0

871587-53-0 structure

871587-53-0 structure

Name: 2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile
Chemical Name: 2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile
CAS Number: 871587-53-0
Molecular Formula: C₁₁H₈N₂O₂
Molecular Weight: 200.19300
Create Date: 2018-07-06 08:10:42
Modify Date: 2024-01-10 16:42:01

Name	2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile
Synonyms	(5-Cyanomethyl-1,3-benzodioxol-4-yl)acetonitrile (4-cyanomethyl-benzo[1,3]dioxol-5-yl)-acetonitrile 1,3-Benzodioxole-4,5-diacetonitrile

Molecular Formula	C₁₁H₈N₂O₂
Molecular Weight	200.19300
Exact Mass	200.05900
PSA	66.04000
LogP	1.54746

871587-52-9 structure

871587-52-9

~%

871587-53-0 structure

871587-53-0

Literature: Link, James T.; Chen, Yixian; Jae, Hwan-Soo; Patel, Jyoti R.; Pliushchev, Marina A.; Rohde, Jeffrey J.; Shuai, Qi; Sorensen, Bryan K.; Winn, Martin; Wodka, Dariusz; Yong, Hong Patent: US2005/277647 A1, 2005 ; Location in patent: Page/Page column 39 ;

871587-52-9 structure

871587-52-9

143-33-9 structure

143-33-9

~64%

871587-53-0 structure

871587-53-0

Literature: Rohde, Jeffrey J.; Pliushchev, Marina A.; Sorensen, Bryan K.; Wodka, Dariusz; Shuai, Qi; Wang, Jiahong; Fung, Steven; Monzon, Katina M.; Chiou, William J.; Pan, Liping; Deng, Xiaoqing; Chovan, Linda E.; Ramaiya, Atul; Mullally, Mark; Henry, Rodger F.; Stolarik, DeAnne F.; Imade, Hovis M.; Marsh, Kennan C.; Beno, David W. A.; Fey, Thomas A.; Droz, Brian A.; Brune, Michael E.; Camp, Heidi S.; Sham, Hing L.; Frevert, Ernst Uli; Jacobson, Peer B.; Link Journal of Medicinal Chemistry, 2007 , vol. 50, # 1 p. 149 - 164

58343-48-9 structure

58343-48-9

~%

871587-53-0 structure

871587-53-0

Literature: Rohde, Jeffrey J.; Pliushchev, Marina A.; Sorensen, Bryan K.; Wodka, Dariusz; Shuai, Qi; Wang, Jiahong; Fung, Steven; Monzon, Katina M.; Chiou, William J.; Pan, Liping; Deng, Xiaoqing; Chovan, Linda E.; Ramaiya, Atul; Mullally, Mark; Henry, Rodger F.; Stolarik, DeAnne F.; Imade, Hovis M.; Marsh, Kennan C.; Beno, David W. A.; Fey, Thomas A.; Droz, Brian A.; Brune, Michael E.; Camp, Heidi S.; Sham, Hing L.; Frevert, Ernst Uli; Jacobson, Peer B.; Link Journal of Medicinal Chemistry, 2007 , vol. 50, # 1 p. 149 - 164

1077-75-4 structure

1077-75-4

~%

871587-53-0 structure

871587-53-0

Literature: Rohde, Jeffrey J.; Pliushchev, Marina A.; Sorensen, Bryan K.; Wodka, Dariusz; Shuai, Qi; Wang, Jiahong; Fung, Steven; Monzon, Katina M.; Chiou, William J.; Pan, Liping; Deng, Xiaoqing; Chovan, Linda E.; Ramaiya, Atul; Mullally, Mark; Henry, Rodger F.; Stolarik, DeAnne F.; Imade, Hovis M.; Marsh, Kennan C.; Beno, David W. A.; Fey, Thomas A.; Droz, Brian A.; Brune, Michael E.; Camp, Heidi S.; Sham, Hing L.; Frevert, Ernst Uli; Jacobson, Peer B.; Link Journal of Medicinal Chemistry, 2007 , vol. 50, # 1 p. 149 - 164

Precursor 4
871587-52-9 143-33-9 58343-48-9 1077-75-4
DownStream 0

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