tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate

Modify Date: 2024-01-24 20:20:14

tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate Structure
tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate structure
Common Name tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate
CAS Number 112888-76-3 Molecular Weight 231.290
Density 1.1±0.1 g/cm3 Boiling Point 357.7±27.0 °C at 760 mmHg
Molecular Formula C14H17NO2 Melting Point N/A
MSDS N/A Flash Point 170.1±23.7 °C

 Names

Name tert-butyl 4-(prop-2-ynylamino)benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 357.7±27.0 °C at 760 mmHg
Molecular Formula C14H17NO2
Molecular Weight 231.290
Flash Point 170.1±23.7 °C
Exact Mass 231.125931
PSA 38.33000
LogP 3.53
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.557

 Safety Information

HS Code 2922499990

 Synthetic Route

~85%

tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate Structure

tert-Butyl 4-(p...

CAS#:112888-76-3

Literature: ONYX PHARMACEUTICALS, INC.; KERSCHEN, James, Alan; BRIDGES, Alexander, James; DALZIEL, Sean, Mark; DAPREMONT, Olivier; KIM, Hyunjung; THOMPSON, Andrew, S.; ZELLER, James, Robert Patent: WO2012/11939 A2, 2012 ; Location in patent: Page/Page column 61-62 ;

~47%

tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate Structure

tert-Butyl 4-(p...

CAS#:112888-76-3

Literature: Bisset, Graham M. F.; Pawelczak, Krzysztof; Jackman, Ann L.; Calvert, A. Hilary; Hughes, Leslie R. Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 859 - 866

~%

tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate Structure

tert-Butyl 4-(p...

CAS#:112888-76-3

Literature: WO2012/11939 A2, ;

 Customs

HS Code 2922499990
Summary HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

 Synonyms

tert-butyl-4-(prop-2-ynylamino)benzoate
FD7135
TERT-BUTYL 4-(2-PROPYNYLAMINO)BENZOATE
Benzoic acid, 4-(2-propyn-1-ylamino)-, 1,1-dimethylethyl ester
tert-butyl 4-N-(prop-2-ynyl)aminobenzoate
2-Methyl-2-propanyl 4-(2-propyn-1-ylamino)benzoate
tert-butyl p-[N-(prop-2-ynyl)amino]benzoate
tert-Butyl 4-(prop-2-yn-1-ylamino)benzoate
tert-butyl p-(prop-2-ynyl)aminobenzoate