CAS 898765-79-2

3,4-Difluoro-ζ-oxobenzeneheptanoic acid

Description:

3,4-Difluoro-ζ-oxobenzeneheptanoic acid is a synthetic organic compound characterized by the presence of a heptanoic acid backbone with a benzene ring substituted by two fluorine atoms at the 3 and 4 positions. This compound features a keto group (oxobenzene) that contributes to its reactivity and potential applications in various chemical reactions. The fluorine substituents enhance the compound's lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The presence of both the carboxylic acid and keto functional groups suggests that it can participate in acid-base reactions and may serve as a precursor for further chemical modifications. Additionally, the compound's structure indicates potential for interactions with biological systems, which could be explored in drug design or agrochemical applications. As with many fluorinated compounds, it may exhibit unique properties such as increased stability and altered solubility compared to its non-fluorinated counterparts. Safety and handling precautions should be observed due to the potential toxicity associated with fluorinated organic compounds.

Formula: C₁₃H₁₄F₂O₃

InChI: InChI=1S/C13H14F2O3/c14-10-7-6-9(8-11(10)15)12(16)4-2-1-3-5-13(17)18/h6-8H,1-5H2,(H,17,18)

InChI key: InChIKey=RHWAIQDHPUPJSP-UHFFFAOYSA-N

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

Synonyms:

• 3,4-Difluoro-ζ-oxobenzeneheptanoic acid
• Benzeneheptanoic acid, 3,4-difluoro-ζ-oxo-