CAS 898757-28-3

Ethyl 4-(1-azetidinylmethyl)-ζ-oxobenzeneheptanoate

Description:

Ethyl 4-(1-azetidinylmethyl)-ζ-oxobenzeneheptanoate, identified by its CAS number 898757-28-3, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group and an azetidine ring. This compound features a benzene ring substituted with a ketone group and a heptanoate chain, contributing to its unique chemical properties. The presence of the azetidine moiety suggests potential biological activity, as azetidines are often explored in medicinal chemistry for their ability to interact with biological targets. The compound is likely to exhibit moderate solubility in organic solvents, while its solubility in water may be limited due to the hydrophobic nature of the heptanoate chain. Its molecular structure may confer specific reactivity patterns, making it of interest in various chemical reactions, including those involving nucleophilic substitutions or cyclizations. Overall, this compound's characteristics make it a subject of interest in both synthetic organic chemistry and potential pharmaceutical applications.

Formula: C₁₉H₂₇NO₃

InChI: InChI=1/C19H27NO3/c1-2-23-19(22)8-5-3-4-7-18(21)17-11-9-16(10-12-17)15-20-13-6-14-20/h9-12H,2-8,13-15H2,1H3

InChI key: InChIKey=YLCQBJIOARGKPV-UHFFFAOYSA-N

SMILES: C(CCCCCC(OCC)=O)(=O)C1=CC=C(CN2CCC2)C=C1

Synonyms:

• Ethyl 4-(1-azetidinylmethyl)-ζ-oxobenzeneheptanoate
• Benzeneheptanoic acid, 4-(1-azetidinylmethyl)-ζ-oxo-, ethyl ester