CAS 70596-91-7

4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid

Description:

4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid, with the CAS number 70596-91-7, is a chemical compound that belongs to the class of substituted benzoic acids. It features a chloro substituent and an ethylphenyl group, contributing to its unique properties. The presence of the α- and γ-oxo functional groups indicates that it may exhibit keto-enol tautomerism, which can influence its reactivity and interactions in various chemical environments. This compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its hydrophobic aromatic components. Its structure suggests potential applications in pharmaceuticals or agrochemicals, where such derivatives are often explored for biological activity. Additionally, the chlorine atom may impart specific electronic effects, enhancing its reactivity or selectivity in chemical reactions. As with many organic compounds, safety and handling precautions should be observed, particularly regarding its potential toxicity and environmental impact.

Formula: C₁₈H₁₇ClO₃

InChI: InChI=1S/C18H17ClO3/c1-2-12-3-5-13(6-4-12)16(18(21)22)11-17(20)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)

InChI key: InChIKey=DGRWWEGVDYDLAO-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=CC=C(Cl)C=C1)(C(O)=O)C2=CC=C(CC)C=C2

Synonyms:

• Benzenebutanoic acid, 4-chloro-α-(4-ethylphenyl)-γ-oxo-
• 4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid