CAS 898768-02-0

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

Description:

Ethyl 3-[3-(4-fluorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898768-02-0, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoate moiety, where the ethyl group is attached to the benzoate carbon, and a propyl chain that includes a ketone functionality. The presence of a 4-fluorophenyl group indicates that there is a fluorine atom substituted on the phenyl ring, which can influence the compound's electronic properties and reactivity. Ethyl 3-[3-(4-fluorophenyl)-1-oxopropyl]benzoate may exhibit interesting biological activities due to its structural features, making it a potential candidate for pharmaceutical applications. Its solubility, stability, and reactivity can vary based on environmental conditions, such as pH and temperature. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards.

Formula: C₁₈H₁₇FO₃

InChI: InChI=1/C18H17FO3/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=PFBKANGVSMQRBD-UHFFFAOYSA-N

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

Synonyms:

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