CAS 898765-93-0

3-Fluoro-4-methyl-δ-oxobenzenepentanoic acid

Description:

3-Fluoro-4-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 898765-93-0, is a chemical compound that features a fluorine atom and a methyl group attached to a benzene ring, along with a pentanoic acid chain. The presence of the fluorine atom typically enhances the compound's lipophilicity and can influence its reactivity and biological activity. The δ-oxobenzene structure indicates the presence of a ketone functional group adjacent to the aromatic system, which may contribute to its chemical reactivity and potential applications in pharmaceuticals or agrochemicals. The pentanoic acid moiety suggests that the compound may exhibit properties typical of carboxylic acids, such as acidity and the ability to form salts or esters. Overall, this compound's unique structure may lead to interesting interactions in biological systems, making it a candidate for further research in medicinal chemistry or related fields. However, specific properties such as solubility, melting point, and reactivity would require empirical data for comprehensive characterization.

Formula: C₁₂H₁₃FO₃

InChI: InChI=1S/C12H13FO3/c1-8-5-6-9(7-10(8)13)11(14)3-2-4-12(15)16/h5-7H,2-4H2,1H3,(H,15,16)

InChI key: InChIKey=HUDQRZXOWPVVDO-UHFFFAOYSA-N

SMILES: C(CCCC(O)=O)(=O)C1=CC(F)=C(C)C=C1

Synonyms:

• Benzenepentanoic acid, 3-fluoro-4-methyl-δ-oxo-
• 3-Fluoro-4-methyl-δ-oxobenzenepentanoic acid