CAS 898762-41-9

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

Description:

Ethyl 3-[3-(3-chlorophenyl)-1-oxopropyl]benzoate, identified by its CAS number 898762-41-9, 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, a propyl chain, and a chlorophenyl group, contributing to its potential biological activity. The presence of the chlorine atom on the phenyl ring can influence the compound's reactivity and solubility, often enhancing its lipophilicity. Ethyl 3-[3-(3-chlorophenyl)-1-oxopropyl]benzoate may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its synthesis typically involves esterification reactions, and it may be analyzed using techniques such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity. Overall, this compound represents a unique structure that may have applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₈H₁₇ClO₃

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

InChI key: InChIKey=FNJMBCOVBJYVFV-UHFFFAOYSA-N

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

Synonyms:

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

3-(3-Chlorophenyl)-3′-carboethoxypropiophenone

CAS: 898762-41-9

Formula: C₁₈H₁₇ClO₃

Purity: 97.0%

Molecular weight: 316.78

Ref: 10-F206158