CAS 939043-31-9

1,1-Dimethylethyl 7-amino-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carboxylate

Description:

1,1-Dimethylethyl 7-amino-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carboxylate, identified by its CAS number 939043-31-9, is a chemical compound that belongs to the class of benzazepines, which are bicyclic compounds featuring a benzene ring fused to a seven-membered nitrogen-containing ring. This substance is characterized by the presence of a dimethyl group, which contributes to its steric properties and may influence its biological activity. The amino group in its structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The carboxylate moiety indicates that it can participate in acid-base reactions and may serve as a site for further chemical modifications. Its tetrahydro configuration implies that it is a saturated derivative, which can affect its solubility and reactivity. Overall, this compound's unique structural features may confer specific pharmacological properties, making it a candidate for further investigation in drug development and therapeutic applications.

Formula: C₁₅H₂₂N₂O₂

InChI: InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-4-5-11-9-13(16)7-6-12(11)10-17/h6-7,9H,4-5,8,10,16H2,1-3H3

InChI key: InChIKey=KJDYAPHJWZVVCP-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC=2C(=CC(N)=CC2)CCC1

Synonyms:

• 2-Amino-6-boc-6-azabenzocycloheptane
• tert-Butyl 7-amino-1,3,4,5-tetrahydro-2H-benzo[c]azepine-2-carboxylate
• 1,1-Dimethylethyl 7-amino-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carboxylate
• 2H-2-Benzazepine-2-carboxylic acid, 7-amino-1,3,4,5-tetrahydro-, 1,1-dimethylethyl ester