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CAS Number: 936332-97-7
tert-butyl 5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate

Structure

 tert-butyl 5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Name: tert-butyl 5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Synonyms:
General Information
Product Number: 936332977

CAS Registry Number 936332-97-7
Name:
1H-?1-?Benzazepine-?1-?carboxylic acid, 2,?3,?4,?5-?tetrahydro-?5-?oxo-?, 1,?1-?dimethylethyl ester

 

Chemical Formula: C15H19NO3
Exact Mass: 261.14
Molecular Weight: 261.32
m/z: 261.14 (100.0%), 262.14 (16.6%), 263.14 (1.9%)

 

InChI:InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-6-9-13(17)11-7-4-5-8-12(11)16/h4-5,7-8H,6,9-10H2,1-3H3

InChI Key:GZTJSWHYRBJPSB-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)OC(=O)N1CCCC(=O)C2=CC=CC=C21

 

Thermal Properties Value Condition Note
Melting Point 100-101 °C   (1)CAS

Specification

98%
References
  1. (1) Boeglin, Damien; Journal of Combinatorial Chemistry 2007, V9(3), P487-500 CAPLUS
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