CAS 91193-36-1

4-(4-chloro-2-methyl-phenyl)-4-oxo-butanoic acid

Description:

4-(4-Chloro-2-methyl-phenyl)-4-oxo-butanoic acid, with the CAS number 91193-36-1, is an organic compound characterized by its functional groups and structural features. It contains a butanoic acid backbone, which is a four-carbon chain with a carboxylic acid group (-COOH) at one end. The presence of a ketone group (C=O) at the fourth carbon contributes to its reactivity and potential applications in organic synthesis. The compound also features a para-substituted aromatic ring, where a chlorine atom and a methyl group are attached to the phenyl ring, influencing its electronic properties and hydrophobicity. This substitution pattern can affect the compound's biological activity and solubility in various solvents. The presence of the chloro and methyl groups may enhance its lipophilicity, making it potentially useful in pharmaceutical applications. Overall, this compound's unique structure suggests it may exhibit interesting chemical behavior and biological properties, warranting further investigation for potential uses in medicinal chemistry or agrochemicals.

Formula: C₁₁H₁₁ClO₃

InChI: InChI=1/C11H11ClO3/c1-7-6-8(12)2-3-9(7)10(13)4-5-11(14)15/h2-3,6H,4-5H2,1H3,(H,14,15)

SMILES: Cc1cc(ccc1C(=O)CCC(=O)O)Cl