CAS 898753-20-3

Ethyl 2,5-difluoro-ζ-oxobenzeneheptanoate

Description:

Ethyl 2,5-difluoro-ζ-oxobenzeneheptanoate is a chemical compound characterized by its unique structure, which includes an ethyl ester functional group and a heptanoate chain. The presence of two fluorine atoms at the 2 and 5 positions of the aromatic ring contributes to its distinct chemical properties, such as increased lipophilicity and potential reactivity in various chemical reactions. The oxo group indicates the presence of a carbonyl functionality, which can participate in nucleophilic addition reactions. This compound may exhibit interesting biological activity due to the fluorine substituents, which can enhance metabolic stability and alter pharmacokinetic properties. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as a synthetic intermediate in organic chemistry. However, specific data regarding its physical properties, such as boiling point, melting point, and solubility, would require experimental determination or literature references. Overall, Ethyl 2,5-difluoro-ζ-oxobenzeneheptanoate represents a versatile compound with potential utility in various chemical fields.

Formula: C₁₅H₁₈F₂O₃

InChI: InChI=1S/C15H18F2O3/c1-2-20-15(19)7-5-3-4-6-14(18)12-10-11(16)8-9-13(12)17/h8-10H,2-7H2,1H3

InChI key: InChIKey=LBDYCYRUMOHSHG-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanoic acid, 2,5-difluoro-ζ-oxo-, ethyl ester
• Ethyl 2,5-difluoro-ζ-oxobenzeneheptanoate