CAS 886496-64-6

Ethyl α-(4-aminophenyl)hexahydro-2-oxo-1H-azepine-1-acetate

Description:

Ethyl α-(4-aminophenyl)hexahydro-2-oxo-1H-azepine-1-acetate is a chemical compound characterized by its complex structure, which includes a hexahydro-azepine ring, an acetyl group, and an amino group attached to a phenyl ring. This compound typically exhibits properties associated with both amines and cyclic ketones, which may influence its solubility, reactivity, and potential biological activity. The presence of the ethyl acetate moiety suggests that it may have moderate polarity, allowing for interactions with various solvents and biological systems. Additionally, the amino group can participate in hydrogen bonding, enhancing its potential as a pharmacophore in medicinal chemistry. The compound's structure indicates potential applications in drug development, particularly in areas targeting neurological or psychiatric conditions, given the azepine framework's historical use in such contexts. However, specific characteristics such as melting point, boiling point, and spectral data would require empirical investigation or literature reference for precise values.

Formula: C₁₆H₂₂N₂O₃

InChI: InChI=1S/C16H22N2O3/c1-2-21-16(20)15(12-7-9-13(17)10-8-12)18-11-5-3-4-6-14(18)19/h7-10,15H,2-6,11,17H2,1H3

InChI key: InChIKey=OUTRPRJOBVTWRL-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(N1C(=O)CCCCC1)C2=CC=C(N)C=C2

Synonyms:

• Ethyl α-(4-aminophenyl)hexahydro-2-oxo-1H-azepine-1-acetate
• 1H-Azepine-1-acetic acid, α-(4-aminophenyl)hexahydro-2-oxo-, ethyl ester