CAS 951892-89-0

3-Ethoxy-α,α-dimethyl-γ-oxobenzenebutanoic acid

Description:

3-Ethoxy-α,α-dimethyl-γ-oxobenzenebutanoic acid, with the CAS number 951892-89-0, is a chemical compound that belongs to the class of organic compounds known as benzenebutanoic acids. This substance features a complex structure characterized by the presence of an ethoxy group, which contributes to its solubility and reactivity. The α,α-dimethyl group indicates the presence of two methyl groups attached to the alpha carbon, enhancing its steric properties and potentially influencing its biological activity. The γ-oxobenzene moiety suggests that the compound may exhibit unique electronic properties due to the conjugation between the carbonyl and the aromatic system. This compound may be of interest in pharmaceutical research or organic synthesis due to its potential applications in drug development or as an intermediate in chemical reactions. Its specific physical and chemical properties, such as melting point, boiling point, and solubility, would require empirical measurement or detailed literature review for precise characterization.

Formula: C₁₄H₁₈O₄

InChI: InChI=1S/C14H18O4/c1-4-18-11-7-5-6-10(8-11)12(15)9-14(2,3)13(16)17/h5-8H,4,9H2,1-3H3,(H,16,17)

InChI key: InChIKey=MVAXWQXMHSKAOV-UHFFFAOYSA-N

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

Synonyms:

• Benzenebutanoic acid, 3-ethoxy-α,α-dimethyl-γ-oxo-
• 3-Ethoxy-α,α-dimethyl-γ-oxobenzenebutanoic acid