CAS 898787-74-1

Ethyl 3-[3-(4-chlorophenyl)-1-oxopropyl]benzoate

Description:

Ethyl 3-[3-(4-chlorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898787-74-1, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethyl alcohol. This compound features a benzoate moiety attached to a propyl chain that includes a ketone group, contributing to its reactivity and potential applications in organic synthesis. The presence of a 4-chlorophenyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. Ethyl 3-[3-(4-chlorophenyl)-1-oxopropyl]benzoate may exhibit various physical properties such as solubility in organic solvents and a specific melting or boiling point, which are typical for esters. Its structure suggests potential uses in pharmaceuticals, agrochemicals, or as an intermediate in chemical synthesis. As with many organic compounds, safety data and handling precautions should be considered, particularly regarding its potential toxicity and environmental impact.

Formula: C₁₈H₁₇ClO₃

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

InChI key: InChIKey=MHIJOKWZOVATTI-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-[3-(4-chlorophenyl)-1-oxopropyl]benzoate
• Benzoic acid, 3-[3-(4-chlorophenyl)-1-oxopropyl]-, ethyl ester