CAS 898752-40-4

Ethyl 3,5-difluoro-ε-oxobenzenehexanoate

Description:

Ethyl 3,5-difluoro-ε-oxobenzenehexanoate is an organic compound characterized by its unique structure, which includes an ethyl ester functional group and a hexanoate chain. The presence of two fluorine atoms at the 3 and 5 positions of the aromatic ring contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The ε-oxobenzene moiety indicates the presence of a ketone functional group adjacent to the aromatic system, which can influence the compound's polarity and solubility in different solvents. This compound may exhibit interesting biological activities due to the fluorine substituents, which can enhance lipophilicity and metabolic stability. Additionally, the ester linkage suggests that it may undergo hydrolysis under certain conditions, releasing the corresponding acid and alcohol. Overall, Ethyl 3,5-difluoro-ε-oxobenzenehexanoate is a compound of interest for further research, particularly in the context of synthetic organic chemistry and material science.

Formula: C₁₄H₁₆F₂O₃

InChI: InChI=1S/C14H16F2O3/c1-2-19-14(18)6-4-3-5-13(17)10-7-11(15)9-12(16)8-10/h7-9H,2-6H2,1H3

InChI key: InChIKey=YYQROGWZAYKEAF-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 3,5-difluoro-ε-oxo-, ethyl ester
• Ethyl 3,5-difluoro-ε-oxobenzenehexanoate