CAS 898750-37-3

Ethyl 4-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate

Description:

Ethyl 4-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate, with the CAS number 898750-37-3, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a complex structure that includes a benzoate moiety and a propyl chain substituted with a chloro and fluorine atom on a phenyl ring, contributing to its potential biological activity. The presence of halogen atoms, such as chlorine and fluorine, often enhances the lipophilicity and metabolic stability of organic molecules, making them of interest in pharmaceutical applications. Ethyl 4-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate may exhibit specific reactivity patterns typical of esters, such as hydrolysis under acidic or basic conditions. Its unique structural features suggest potential uses in medicinal chemistry, particularly in the development of therapeutic agents. However, detailed studies on its physical properties, such as solubility, melting point, and biological activity, would be necessary to fully understand its applications and behavior in various environments.

Formula: C₁₈H₁₆ClFO₃

InChI: InChI=1S/C18H16ClFO3/c1-2-23-18(22)14-6-4-13(5-7-14)17(21)8-3-12-9-15(19)11-16(20)10-12/h4-7,9-11H,2-3,8H2,1H3

InChI key: InChIKey=RZHYOSPUQUMDKV-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 4-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate
• Benzoic acid, 4-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]-, ethyl ester