CAS 898753-08-7

Ethyl 2,4-difluoro-δ-oxobenzenepentanoate

Description:

Ethyl 2,4-difluoro-δ-oxobenzenepentanoate is a chemical compound characterized by its unique structure, which includes an ethyl ester functional group and a diketone moiety. The presence of two fluorine atoms at the 2 and 4 positions of the aromatic ring contributes to its reactivity and potential applications in various chemical reactions. This compound is likely to exhibit moderate polarity due to the ester and ketone functionalities, influencing its solubility in organic solvents. The fluorine substituents can enhance the compound's stability and alter its electronic properties, making it of interest in medicinal chemistry and material science. Additionally, the presence of the pentanoate chain may affect its lipophilicity and biological activity. As with many fluorinated compounds, it may also exhibit unique interactions with biological systems, which could be relevant for drug design or agrochemical applications. Safety and handling precautions should be observed due to the potential toxicity associated with fluorinated compounds.

Formula: C₁₃H₁₄F₂O₃

InChI: InChI=1S/C13H14F2O3/c1-2-18-13(17)5-3-4-12(16)10-7-6-9(14)8-11(10)15/h6-8H,2-5H2,1H3

InChI key: InChIKey=IBQHIKZELWYFRO-UHFFFAOYSA-N

SMILES: C(CCCC(OCC)=O)(=O)C1=C(F)C=C(F)C=C1

Synonyms:

• Ethyl 2,4-difluoro-δ-oxobenzenepentanoate
• Benzenepentanoic acid, 2,4-difluoro-δ-oxo-, ethyl ester