CAS 898753-02-1

Ethyl 2,3-difluoro-ζ-oxobenzeneheptanoate

Description:

Ethyl 2,3-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 3 positions of the benzene ring contributes to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The "ζ-oxobenzene" part of the name indicates the presence of a ketone functional group adjacent to the aromatic ring, which can influence the compound's polarity and solubility. This compound is likely to exhibit moderate to high lipophilicity due to the long aliphatic chain, making it suitable for interactions with biological membranes. Additionally, the fluorine substituents can enhance the compound's metabolic stability and alter its biological activity. Overall, Ethyl 2,3-difluoro-ζ-oxobenzeneheptanoate represents a complex molecule with potential utility in synthetic organic chemistry and medicinal applications, although specific properties such as boiling point, melting point, and solubility would require empirical measurement or detailed literature reference for precise values.

Formula: C₁₅H₁₈F₂O₃

InChI: InChI=1/C15H18F2O3/c1-2-20-14(19)10-5-3-4-9-13(18)11-7-6-8-12(16)15(11)17/h6-8H,2-5,9-10H2,1H3

InChI key: InChIKey=SKSNHMWUAYOCRY-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanoic acid, 2,3-difluoro-ζ-oxo-, ethyl ester
• Ethyl 2,3-difluoro-ζ-oxobenzeneheptanoate