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CAS Number: 120157-97-3
tert-butyl 4-bromophenethylcarbamate

Structure

tert-butyl 4-bromophenethylcarbamate
Name: tert-butyl 4-bromophenethylcarbamate
Synonyms:
General Information
Product Number: 120157973

CAS Registry Number 120157-97-3
Name:
Carbamic acid, N-?[2-?(4-?bromophenyl)?ethyl]?-?, 1,?1-?dimethylethyl ester
Carbamic acid, [2-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester (9CI)
2-(4-Bromophenyl)-N-(t-butoxycarbonyl)ethylamine
N-Boc-4-bromophenethylamine
N-[2-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester
N-tert-Butoxycarbonyl-2-(4-bromophenyl)ethylamine

 

Chemical Formula: C13H18BrNO2
Exact Mass: 299.05
Molecular Weight: 300.19
m/z: 299.05 (100.0%), 301.05 (97.3%), 300.06 (14.3%), 302.05 (14.1%), 301.06 (1.4%)

 

InChI:InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)

InChI Key:MRQBIMZMDWOQLF-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)Br

 

Thermal Properties Value Condition Note
Melting Point 61-63 °C Solv: cyclohexane (110-82-7) (1)CAS
Melting Point 61-62 °C   (2)IC
Melting Point 58-59 °C   (4)CAS

Specification

98%

References
  1. (1) Kirketerp, Maj-Britt Suhr; Journal of Physical Chemistry A 2011, V115(7), P1222-1227 CAPLUS
  2. (2) Tanaka, Kenichi; Chemical & Pharmaceutical Bulletin 1988, V36(8), P3125-9 CAPLUS
  3. (4) Caddick, Stephen; Tetrahedron 2003, V59(29), P5417-5423 CAPLUS
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