CAS 898779-02-7

Ethyl 3-[3-(3,4-dimethylphenyl)-1-oxopropyl]benzoate

Description:

Ethyl 3-[3-(3,4-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898779-02-7, 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 dimethylphenyl group, contributing to its potential as a pharmaceutical intermediate or in organic synthesis. The presence of the dimethylphenyl group may impart specific electronic and steric properties, influencing its reactivity and interactions in various chemical environments. Ethyl 3-[3-(3,4-dimethylphenyl)-1-oxopropyl]benzoate is likely to exhibit moderate solubility in organic solvents, while its stability and reactivity can be influenced by factors such as temperature and pH. As with many organic compounds, safety precautions should be observed when handling this substance, including the use of appropriate personal protective equipment and adherence to safety data sheet guidelines.

Formula: C₂₀H₂₂O₃

InChI: InChI=1/C20H22O3/c1-4-23-20(22)18-7-5-6-17(13-18)19(21)11-10-16-9-8-14(2)15(3)12-16/h5-9,12-13H,4,10-11H2,1-3H3

InChI key: InChIKey=QHHIQJGNDWNAHG-UHFFFAOYSA-N

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

Synonyms:

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