3-pyrrolidin-1-ylbenzonitrile

Modify Date: 2024-01-08 14:08:28

3-pyrrolidin-1-ylbenzonitrile Structure
3-pyrrolidin-1-ylbenzonitrile structure
Common Name 3-pyrrolidin-1-ylbenzonitrile
CAS Number 175696-73-8 Molecular Weight 172.22600
Density 1.12g/cm3 Boiling Point 316.8ºC at 760 mmHg
Molecular Formula C11H12N2 Melting Point 84ºC
MSDS N/A Flash Point 139ºC

 Names

Name 3-pyrrolidin-1-ylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.12g/cm3
Boiling Point 316.8ºC at 760 mmHg
Melting Point 84ºC
Molecular Formula C11H12N2
Molecular Weight 172.22600
Flash Point 139ºC
Exact Mass 172.10000
PSA 27.03000
LogP 2.22348
Vapour Pressure 0.000401mmHg at 25°C
Index of Refraction 1.588

 Safety Information

Hazard Codes Xi: Irritant;

 Synthetic Route

~86%

3-pyrrolidin-1-ylbenzonitrile Structure

3-pyrrolidin-1-...

CAS#:175696-73-8

Literature: Wolfe, John P.; Tomori, Hiroshi; Sadighi, Joseph P.; Yin, Jingjun; Buchwald, Stephen L. Journal of Organic Chemistry, 2000 , vol. 65, # 4 p. 1158 - 1174

~64%

3-pyrrolidin-1-ylbenzonitrile Structure

3-pyrrolidin-1-...

CAS#:175696-73-8

Literature: Sznaidman, Marcos L.; Meade, Eric A.; Beauchamp, Lilia M.; Russell, Stuart; Tisdale, Margaret Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 5 p. 565 - 568

~63%

3-pyrrolidin-1-ylbenzonitrile Structure

3-pyrrolidin-1-...

CAS#:175696-73-8

Literature: Belfield, Andrew J.; Brown, George R.; Foubister, Alan J.; Ratcliffe, Paul D. Tetrahedron, 1999 , vol. 55, # 46 p. 13285 - 13300

~%

3-pyrrolidin-1-ylbenzonitrile Structure

3-pyrrolidin-1-...

CAS#:175696-73-8

Literature: AstraZeneca AB Patent: US6579872 B1, 2003 ; US 6579872 B1

 Synonyms

3-pyrrolidinylbenzenecarbonitrile
3-pyrrolidin-1-yl-benzonitrile