2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile

Modify Date: 2024-01-10 16:42:01

2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile structure	Common Name	2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile
	CAS Number	871587-53-0	Molecular Weight	200.19300
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₁H₈N₂O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile
Synonym	More Synonyms

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

4,5-bis(chloromethyl)-1,3-benzodioxole structure

4,5-bis(chlorom...

CAS#:871587-52-9

~%

2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile Structure

2-[4-(cyanometh...

CAS#: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 ;

4,5-bis(chloromethyl)-1,3-benzodioxole structure

4,5-bis(chlorom...

CAS#:871587-52-9

Sodium cyanide structure

Sodium cyanide

CAS#:143-33-9

~64%

2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile Structure

2-[4-(cyanometh...

CAS#: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

5-formyl-1,3-benzodioxole-4-carboxylic acid structure

5-formyl-1,3-be...

CAS#:58343-48-9

~%

2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile Structure

2-[4-(cyanometh...

CAS#: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

(4-hydroxymethyl-benzo[1,3]dioxol-5-yl)methanol structure

(4-hydroxymethy...

CAS#:1077-75-4

~%

2-[4-(cyanomethyl)-1,3-benzodioxol-5-yl]acetonitrile Structure

2-[4-(cyanometh...

CAS#: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
CAS#:871587-52-9 4,5-bis(chlorom... CAS#:143-33-9 Sodium cyanide CAS#:58343-48-9 5-formyl-1,3-be... CAS#:1077-75-4 (4-hydroxymethy...
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(5-Cyanomethyl-1,3-benzodioxol-4-yl)acetonitrile

(4-cyanomethyl-benzo[1,3]dioxol-5-yl)-acetonitrile

1,3-Benzodioxole-4,5-diacetonitrile