CAS 898762-38-4

Ethyl 2-[3-(3-chlorophenyl)-1-oxopropyl]benzoate

Description:

Ethyl 2-[3-(3-chlorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898762-38-4, is an organic compound that belongs to the class of benzoates. This substance features a benzoate moiety, which is characterized by the presence of an ethyl ester group attached to a benzoic acid derivative. The compound contains a propyl chain with a ketone functional group, as well as a chlorophenyl substituent, which contributes to its chemical properties and potential biological activity. The presence of the chlorine atom on the phenyl ring can influence the compound's reactivity and solubility. Ethyl 2-[3-(3-chlorophenyl)-1-oxopropyl]benzoate may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its structural features suggest potential applications in drug development, particularly in the synthesis of compounds with specific therapeutic effects. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would depend on the specific conditions and purity of the sample.

Formula: C₁₈H₁₇ClO₃

InChI: InChI=1S/C18H17ClO3/c1-2-22-18(21)16-9-4-3-8-15(16)17(20)11-10-13-6-5-7-14(19)12-13/h3-9,12H,2,10-11H2,1H3

InChI key: InChIKey=MSORHYXMDDKFRB-UHFFFAOYSA-N

SMILES: C(CCC1=CC(Cl)=CC=C1)(=O)C2=C(C(OCC)=O)C=CC=C2

Synonyms:

• Ethyl 2-[3-(3-chlorophenyl)-1-oxopropyl]benzoate
• Benzoic acid, 2-[3-(3-chlorophenyl)-1-oxopropyl]-, ethyl ester