CAS 898766-70-6

4-(3-fluorophenyl)-2,2-dimethyl-4-oxo-butanoic acid

Description:

4-(3-Fluorophenyl)-2,2-dimethyl-4-oxo-butanoic acid is an organic compound characterized by its unique structure, which includes a butanoic acid backbone substituted with a 3-fluorophenyl group and two methyl groups. This compound features a ketone functional group (4-oxo) that contributes to its reactivity and potential applications in organic synthesis. The presence of the fluorine atom in the phenyl ring can enhance the compound's lipophilicity and influence its biological activity, making it of interest in medicinal chemistry. The carboxylic acid functional group imparts acidic properties, allowing for potential interactions in various chemical environments. Additionally, the steric hindrance introduced by the dimethyl groups may affect the compound's conformation and reactivity. Overall, this compound's characteristics suggest potential utility in pharmaceutical development, particularly in the design of novel therapeutic agents. However, specific properties such as solubility, melting point, and stability would require empirical measurement or detailed literature references for precise values.

Formula: C₁₂H₁₃FO₃

InChI: InChI=1/C12H13FO3/c1-12(2,11(15)16)7-10(14)8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H,15,16)

SMILES: CC(C)(CC(=O)c1cccc(c1)F)C(=O)O

Synonyms:

• Benzenebutanoic acid, 3-fluoro-α,α-dimethyl-γ-oxo-
• 2,2-DIMETHYL-4-(3-FLUOROPHENYL)-4-OXOBUTYRIC ACID