CAS 898753-14-5

Ethyl 2,5-difluoro-γ-oxobenzenebutanoate

Description:

Ethyl 2,5-difluoro-γ-oxobenzenebutanoate is a chemical compound characterized by its unique structure, which includes an ethyl ester functional group and a γ-oxobenzenebutanoate moiety. 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. This compound is likely to exhibit moderate to high stability under standard conditions, but its reactivity can be influenced by the electronegative fluorine atoms, which can participate in electrophilic substitution reactions. The ester functional group suggests that it may undergo hydrolysis in the presence of water or basic conditions, leading to the formation of the corresponding acid and alcohol. Additionally, the compound may have applications in medicinal chemistry or as an intermediate in organic synthesis due to its unique structural features. As with many fluorinated compounds, it may also exhibit interesting biological activity, warranting further investigation in pharmacological studies.

Formula: C₁₂H₁₂F₂O₃

InChI: InChI=1/C12H12F2O3/c1-2-17-12(16)6-5-11(15)9-7-8(13)3-4-10(9)14/h3-4,7H,2,5-6H2,1H3

InChI key: InChIKey=NSIAFOFHAZEZGO-UHFFFAOYSA-N

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

Synonyms:

• Benzenebutanoic acid, 2,5-difluoro-γ-oxo-, ethyl ester
• Ethyl 2,5-difluoro-γ-oxobenzenebutanoate