CAS 898750-31-7

Ethyl 2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate

Description:

Ethyl 2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898750-31-7, is a synthetic 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 propanoyl group substituted with a chlorofluorophenyl ring, contributing to its unique chemical properties. The presence of the chlorine and fluorine atoms in the phenyl ring enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. Ethyl 2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate is likely to exhibit moderate solubility in organic solvents and may have limited solubility in water due to its hydrophobic characteristics. Its potential applications could span various fields, including medicinal chemistry and agrochemicals, where such compounds are often explored for their therapeutic or pesticidal properties. As with many synthetic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₈H₁₆ClFO₃

InChI: InChI=1S/C18H16ClFO3/c1-2-23-18(22)16-6-4-3-5-15(16)17(21)8-7-12-9-13(19)11-14(20)10-12/h3-6,9-11H,2,7-8H2,1H3

InChI key: InChIKey=LYGLYSVDDJOXEE-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]-, ethyl ester
• Ethyl 2-[3-(3-chloro-5-fluorophenyl)-1-oxopropyl]benzoate