CAS 898769-20-5

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

Description:

Ethyl 2-[3-(2,3-dimethylphenyl)-1-oxopropyl]benzoate, identified by its CAS number 898769-20-5, is an organic compound that belongs to the class of esters. It features a benzoate moiety, which is characteristic of aromatic compounds, and contains an ethyl group that contributes to its ester functionality. The structure includes a propanoyl group linked to a 2,3-dimethylphenyl substituent, indicating the presence of both aliphatic and aromatic characteristics. This compound is likely to exhibit moderate to low solubility in water due to its hydrophobic aromatic components, while being more soluble in organic solvents. Its potential applications may include use in organic synthesis, as an intermediate in the production of pharmaceuticals, or in the development of agrochemicals. The presence of multiple functional groups suggests that it may participate in various chemical reactions, including esterification and nucleophilic substitutions. As with many organic compounds, safety data should be consulted to understand its handling and toxicity profiles.

Formula: C₂₀H₂₂O₃

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

InChI key: InChIKey=UKGQAFKMICXSFA-UHFFFAOYSA-N

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

Synonyms:

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