CAS 898768-59-7

Ethyl 2-[3-(4-methylphenyl)-1-oxopropyl]benzoate

Description:

Ethyl 2-[3-(4-methylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898768-59-7, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a benzoate moiety linked to a propyl chain that includes a ketone group, contributing to its potential reactivity and applications in organic synthesis. The presence of the 4-methylphenyl group indicates that it has aromatic characteristics, which can influence its physical properties, such as solubility and boiling point. Ethyl 2-[3-(4-methylphenyl)-1-oxopropyl]benzoate may exhibit moderate to high lipophilicity due to its hydrophobic aromatic components, making it relevant in fields such as pharmaceuticals, where it could serve as an intermediate in the synthesis of biologically active compounds. Additionally, its structural complexity suggests potential for various chemical reactions, including nucleophilic substitutions and condensation reactions, which are common in organic chemistry. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₉H₂₀O₃

InChI: InChI=1S/C19H20O3/c1-3-22-19(21)17-7-5-4-6-16(17)18(20)13-12-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3

InChI key: InChIKey=LGTLXCXRVHHSOM-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-[3-(4-methylphenyl)-1-oxopropyl]-, ethyl ester
• Ethyl 2-[3-(4-methylphenyl)-1-oxopropyl]benzoate