CAS 904999-05-9

Propyl 2-amino-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate

Description:

Propyl 2-amino-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate is a chemical compound characterized by its complex structure, which includes a benzo[b]thiophene core, an amino group, and a carboxylate ester functionality. This compound typically exhibits properties associated with both aromatic and aliphatic systems due to its fused ring structure. The presence of the phenyl group contributes to its potential for π-π stacking interactions, while the tetrahydro configuration suggests it may have a degree of flexibility in its conformation. The propyl ester group enhances its lipophilicity, which may influence its solubility and bioavailability in various environments. Additionally, the amino group can participate in hydrogen bonding, potentially affecting its reactivity and interactions with biological targets. Overall, this compound may be of interest in medicinal chemistry and materials science due to its unique structural features and potential applications in drug development or as a building block in organic synthesis.

Formula: C₁₈H₂₁NO₂S

InChI: InChI=1S/C18H21NO2S/c1-2-10-21-18(20)16-14-9-8-13(11-15(14)22-17(16)19)12-6-4-3-5-7-12/h3-7,13H,2,8-11,19H2,1H3

InChI key: InChIKey=HKADFWPBULFOMU-UHFFFAOYSA-N

SMILES: C(OCCC)(=O)C=1C2=C(CC(CC2)C3=CC=CC=C3)SC1N

Synonyms:

• Propyl 2-amino-4,5,6,7-tetrahydro-6-phenylbenzo[b]thiophene-3-carboxylate
• Benzo[b]thiophene-3-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-6-phenyl-, propyl ester