CAS 898780-32-0

Ethyl 2-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate

Description:

Ethyl 2-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate, with the CAS number 898780-32-0, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethyl alcohol. This compound features a complex structure that includes a benzoate moiety and a propyl chain substituted with a 3,5-dimethylphenyl group. The presence of the carbonyl group (ketone) in the propyl chain contributes to its reactivity and potential applications in organic synthesis. Ethyl 2-[3-(3,5-dimethylphenyl)-1-oxopropyl]benzoate may exhibit properties typical of esters, such as being relatively non-polar, which can influence its solubility in organic solvents. Additionally, the presence of multiple aromatic rings may impart unique electronic properties and stability. This compound could be of interest in various fields, including pharmaceuticals and materials science, due to its potential as an intermediate in chemical synthesis or as a building block for more complex molecules. However, specific physical and chemical properties such as boiling point, melting point, and solubility would require empirical data for precise characterization.

Formula: C₂₀H₂₂O₃

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

InChI key: InChIKey=FOCVVPGZRHVDHF-UHFFFAOYSA-N

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

Synonyms:

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