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CAS Number: 872624-59-4
tert-butyl 7-methyl-5-oxo-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate

Structure

 tert-butyl 7-methyl-5-oxo-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Name: tert-butyl 7-methyl-5-oxo-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carboxylate
Synonyms:
General Information
Product Number: 872624594

CAS Registry Number 872624-59-4
Name:
1H-?1-?Benzazepine-?1-?carboxylic acid, 2,?3,?4,?5-?tetrahydro-?7-?methyl-?5-?oxo-?8-?(trifluoromethyl)?-?, 1,?1-?dimethylethyl ester
tert-Butyl 7-methyl-5-oxo-8-trifluoromethyl-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate

 

Chemical Formula: C17H20F3NO3
Exact Mass: 343.14
Molecular Weight: 343.34
m/z: 343.14 (100.0%), 344.14 (18.9%), 345.15 (1.7%)

 

InChI:InChI=1S/C17H20F3NO3/c1-10-8-11-13(9-12(10)17(18,19)20)21(7-5-6-14(11)22)15(23)24-16(2,3)4/h8-9H,5-7H2,1-4H3

InChI Key:KBBDHKWIVAXDJJ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=C2C(=C1)C(=O)CCCN2C(=O)OC(C)(C)C)C(F)(F)F

Specification

98%
References

PCT Int. Appl. (2006), WO 2006002342 A1 20060105.
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