CAS 1119449-77-2

3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid

Description:

3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid, identified by its CAS number 1119449-77-2, is a chemical compound characterized by its complex structure that includes a propenoic acid moiety and a hexahydro-1H-azepin group. This compound features a methoxy-substituted phenyl ring, contributing to its potential biological activity and solubility properties. The presence of the hexahydro-1H-azepin moiety suggests that it may exhibit unique pharmacological properties, possibly influencing its interaction with biological targets. The propenoic acid functional group indicates that it may participate in various chemical reactions, including polymerization or esterification. Overall, this compound's structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, although specific biological activities and applications would require further investigation through experimental studies.

Formula: C₁₇H₂₃NO₃

InChI: InChI=1S/C17H23NO3/c1-21-16-8-6-14(7-9-17(19)20)12-15(16)13-18-10-4-2-3-5-11-18/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)

InChI key: InChIKey=BQSQDVVKCVUZKP-UHFFFAOYSA-N

SMILES: C(C1=C(OC)C=CC(C=CC(O)=O)=C1)N2CCCCCC2

Synonyms:

• 2-Propenoic acid, 3-[3-[(hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-
• 3-[3-[(Hexahydro-1H-azepin-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid