CAS 740842-88-0

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

Description:

1,1-Dimethylethyl 7-bromo-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate, identified by its CAS number 740842-88-0, is a chemical compound that features a complex bicyclic structure. This substance is characterized by the presence of a benzazepine core, which is a fused ring system containing both benzene and azepine moieties. The compound includes a carboxylate functional group, contributing to its potential reactivity and solubility in various solvents. The presence of a bromine atom introduces halogen characteristics, which can influence the compound's reactivity and biological activity. Additionally, the dimethyl group at the 1-position enhances steric hindrance, potentially affecting the compound's interactions with biological targets. Overall, this compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. However, specific applications and biological activities would require further investigation through empirical studies.

Formula: C₁₅H₂₀BrNO₂

InChI: InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-8-6-11-4-5-13(16)10-12(11)7-9-17/h4-5,10H,6-9H2,1-3H3

InChI key: InChIKey=UICPNVVRZYJXAM-UHFFFAOYSA-N

SMILES: BrC=1C=C2C(CCN(C(OC(C)(C)C)=O)CC2)=CC1

Synonyms:

• tert-Butyl 7-bromo-1,2,4,5-tetrahydro-3H-benzo[d]azepine-3-carboxylate
• 1,1-Dimethylethyl 7-bromo-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
• 3H-3-Benzazepine-3-carboxylic acid, 7-bromo-1,2,4,5-tetrahydro-, 1,1-dimethylethyl ester