CAS 898764-10-8

Ethyl 2-(1-oxo-3-phenylpropyl)benzoate

Description:

Ethyl 2-(1-oxo-3-phenylpropyl)benzoate, identified by its CAS number 898764-10-8, is an organic compound that belongs to the class of esters. This substance features a benzoate moiety, which is derived from benzoic acid, and an ethyl group, indicating that it is an ethyl ester. The compound contains a phenylpropyl chain with a ketone functional group (1-oxo) at the 3-position, contributing to its reactivity and potential applications in organic synthesis. Ethyl 2-(1-oxo-3-phenylpropyl)benzoate is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic components, while its ester functionality may allow for hydrolysis under acidic or basic conditions. The presence of both aromatic and aliphatic structures suggests that it may have interesting electronic properties and could participate in various chemical reactions, including nucleophilic substitutions and condensation reactions. Its specific applications may vary, but compounds of this nature are often explored in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis.

Formula: C₁₈H₁₈O₃

InChI: InChI=1S/C18H18O3/c1-2-21-18(20)16-11-7-6-10-15(16)17(19)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3

InChI key: InChIKey=SQGFRLPFABIKLN-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2-(1-oxo-3-phenylpropyl)benzoate
• Benzoic acid, 2-(1-oxo-3-phenylpropyl)-, ethyl ester