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CAS Number: 171663-13-1
tert-butyl 3-bromobenzylcarbamate

Structure

 tert-butyl 3-bromobenzylcarbamate
Name: tert-butyl 3-bromobenzylcarbamate
Synonyms:
General Information
Product Number: 171663131

CAS Registry Number 171663-13-1
Name:
Carbamic acid, N-?[(3-?bromophenyl)?methyl]?-?, 1,?1-?dimethylethyl ester
Carbamic acid, [(3-bromophenyl)methyl]-, 1,1-dimethylethyl ester (9CI)
(3-Bromobenzyl)carbamic acid tert-butyl ester
N-(3-Bromobenzyl)carbamic acid tert-butyl ester
tert-Butyl (3-bromobenzyl)carbamate
tert-Butyl N-(3-bromobenzyl)carbamate

 

Chemical Formula: C12H16BrNO2
Exact Mass: 285.04
Molecular Weight: 286.16
m/z: 285.04 (100.0%), 287.03 (97.3%), 286.04 (13.2%), 288.04 (12.9%), 287.04 (1.2%), 289.04 (1.2%)

 

InChI:InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H,14,15)

InChI Key:BSEVOUCZQOLENZ-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)NCC1=CC(=CC=C1)Br

 

Thermal Properties Value Condition Note
Melting Point 59-60 °C   (2)CAS

Specification

98%
References
  1. (2) Ballatore, Carlo; Journal of Medicinal Chemistry 2011, V54(19), P6969-6983 CAPLUS
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