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CAS Number: 201940-08-1
tert-butyl 5-bromoisoindoline-2-carboxylate

Structure

tert-butyl 5-bromoisoindoline-2-carboxylate
Name: tert-butyl 5-bromoisoindoline-2-carboxylate
Synonyms:
General Information
Product Number: 201940081

CAS Registry Number 201940-08-1
Name:
2H-​Isoindole-​2-​carboxylic acid, 5-​bromo-​1,​3-​dihydro-​, 1,​1-​dimethylethyl ester
5-Bromo-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester
tert-Butyl 5-bromo-1,3-dihydro-2H-isoindole-2-carboxylate
tert-Butyl 5-bromo-1,3-dihydroisoindole-2-carboxylate
tert-Butyl 5-bromoisoindoline-2-carboxylate

 

Chemical Formula: C13H16BrNO2
Exact Mass: 297.04
Molecular Weight: 298.18
m/z: 297.04 (100.0%), 299.03 (97.3%), 298.04 (14.3%), 300.04 (14.0%), 299.04 (1.4%), 301.04 (1.3%)

 

InChI:InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h4-6H,7-8H2,1-3H3

InChI Key:GOKHEUCWNVPUSC-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CC2=C(C1)C=C(C=C2)Br

Specification

98%

References
  1. (1) Wang, Qiuping; Journal of Medicinal Chemistry 2007, V50(2), P199-210 CAPLUS
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