tert-butyl 4-cyanobenzoate

Modify Date: 2024-01-07 14:59:30

tert-butyl 4-cyanobenzoate Structure
tert-butyl 4-cyanobenzoate structure
Common Name tert-butyl 4-cyanobenzoate
CAS Number 55696-50-9 Molecular Weight 203.23700
Density 1.09g/cm3 Boiling Point 315.5ºC at 760 mmHg
Molecular Formula C12H13NO2 Melting Point N/A
MSDS N/A Flash Point 147.3ºC

 Names

Name tert-butyl 4-cyanobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.09g/cm3
Boiling Point 315.5ºC at 760 mmHg
Molecular Formula C12H13NO2
Molecular Weight 203.23700
Flash Point 147.3ºC
Exact Mass 203.09500
PSA 50.09000
LogP 2.51358
Index of Refraction 1.518

 Safety Information

HS Code 2926909090

 Synthetic Route

~42%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: AQUILUS PHARMACEUTICALS, INC.; SUCHOLEIKI, Irving Patent: WO2014/62204 A1, 2014 ; Location in patent: Page/Page column 54-55 ;

~%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Takeda Chemical Industries, Ltd. Patent: US5876756 A1, 1999 ;

~51%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Wu, Yusheng; Li, Xinjian; Zou, Dapeng; Zhu, Helong; Wang, Yaping; Li, Jingya; Wu, Yangjie Organic Letters, 2014 , vol. 16, # 7 p. 1836 - 1839

~97%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Nasim, Shama; Guzman, Monica L.; Jordan, Craig T.; Crooks, Peter A. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 16 p. 4879 - 4883

~55%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Wu, Yusheng; Li, Xinjian; Zou, Dapeng; Zhu, Helong; Wang, Yaping; Li, Jingya; Wu, Yangjie Organic Letters, 2014 , vol. 16, # 7 p. 1836 - 1839

~%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Antonello, Sabrina; Maran, Flavio Journal of the American Chemical Society, 1997 , vol. 119, # 51 p. 12595 - 12600

~%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Frizler, Maxim; Lohr, Friederike; Furtmann, Norbert; Klaes, Julia; Guetschow, Michael Journal of Medicinal Chemistry, 2011 , vol. 54, # 1 p. 396 - 400

~%

tert-butyl 4-cyanobenzoate Structure

tert-butyl 4-cy...

CAS#:55696-50-9

Literature: Stanton, Matthew G. Journal of the American Chemical Society, 1998 , vol. 120, # 24 p. 5981 - 5989

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

4-cyanobenzoic acid 1,1-dimethylethyl ester
p-(t-BuO2C)C6H4CN
4-cyano-benzoic acid tert-butyl ester
tert-butyl p-cyanobenzoate
4-cyanobenzoic acid t-butyl ester