tert-Butyl (3-cyanophenyl)carbamate

Modify Date: 2024-01-10 18:05:01

tert-Butyl (3-cyanophenyl)carbamate Structure
tert-Butyl (3-cyanophenyl)carbamate structure
Common Name tert-Butyl (3-cyanophenyl)carbamate
CAS Number 145878-50-8 Molecular Weight 218.25200
Density 1.12±0.1 g/cm3(Predicted) Boiling Point 286.6±23.0 ℃(Predicted)
Molecular Formula C12H14N2O2 Melting Point 125 - 130 ℃
MSDS Chinese USA Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name N-Boc-3-aminobenzonitrile tert-Butyl 3-cyanophenylcarbamate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.12±0.1 g/cm3(Predicted)
Boiling Point 286.6±23.0 ℃(Predicted)
Melting Point 125 - 130 ℃
Molecular Formula C12H14N2O2
Molecular Weight 218.25200
Exact Mass 218.10600
PSA 65.61000
LogP 2.91888
Storage condition 2-8°C

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H317
Precautionary Statements P280
Hazard Codes Xn
Risk Phrases 22-43
Safety Phrases 36/37
RIDADR NONH for all modes of transport
HS Code 2926909090

 Synthetic Route

~90%

tert-Butyl (3-cyanophenyl)carbamate Structure

tert-Butyl (3-c...

CAS#:145878-50-8

Literature: MERCK and CO., INC.; SUNESIS PHARMACEUTICALS, INC. Patent: WO2006/44497 A2, 2006 ; Location in patent: Page/Page column 148 ; WO 2006/044497 A2

~%

tert-Butyl (3-cyanophenyl)carbamate Structure

tert-Butyl (3-c...

CAS#:145878-50-8

Literature: Merck Sharp and Dohme Ltd. Patent: US5597915 A1, 1997 ; US 5597915 A

~84%

tert-Butyl (3-cyanophenyl)carbamate Structure

tert-Butyl (3-c...

CAS#:145878-50-8

Literature: Shu, Zhibin; Ye, Yuxuan; Deng, Yifan; Zhang, Yan; Wang, Jianbo Angewandte Chemie - International Edition, 2013 , vol. 52, # 40 p. 10573 - 10576 Angew. Chem., 2013 , vol. 125, # 40 p. 10767 - 10770,4

~88%

tert-Butyl (3-cyanophenyl)carbamate Structure

tert-Butyl (3-c...

CAS#:145878-50-8

Literature: Vinogradova, Ekaterina V.; Park, Nathaniel H.; Fors, Brett P.; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 6 p. 1394 - 1397

 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

tert-butyl N-(3-cyanophenyl)carbamate
3-(Boc-amino)benzonitrile