CAS 951885-39-5

5-Fluoro-2-methoxy-β-methyl-δ-oxobenzenepentanoic acid

Description:

5-Fluoro-2-methoxy-β-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 951885-39-5, is a synthetic organic compound that belongs to the class of benzenepentanoic acids. This compound features a fluorine atom and a methoxy group, which contribute to its unique chemical properties and potential biological activity. The presence of the β-methyl and δ-oxo functional groups suggests that it may exhibit interesting reactivity and interactions in various chemical environments. Typically, such compounds can be studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The structural characteristics, including the aromatic ring and functional groups, may influence its solubility, stability, and reactivity. Additionally, the fluorine substitution can enhance lipophilicity and metabolic stability, making it a candidate for further research in medicinal chemistry. Overall, this compound's specific characteristics would be best understood through detailed experimental studies and computational modeling to elucidate its behavior in biological systems and chemical reactions.

Formula: C₁₃H₁₅FO₄

InChI: InChI=1S/C13H15FO4/c1-8(6-13(16)17)5-11(15)10-7-9(14)3-4-12(10)18-2/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)

InChI key: InChIKey=MXTSFUPKZCZJHR-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanoic acid, 5-fluoro-2-methoxy-β-methyl-δ-oxo-
• 5-Fluoro-2-methoxy-β-methyl-δ-oxobenzenepentanoic acid