CAS 898753-62-3

Ethyl 3,5-difluoro-α,α-dimethyl-γ-oxobenzenebutanoate

Description:

Ethyl 3,5-difluoro-α,α-dimethyl-γ-oxobenzenebutanoate is an organic compound characterized by its complex structure, which includes a benzene ring substituted with two fluorine atoms at the 3 and 5 positions, as well as a γ-oxobutanoate moiety. This compound features an ethyl ester functional group, contributing to its reactivity and solubility properties. The presence of the difluoromethyl groups enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The α,α-dimethyl substitution indicates steric hindrance, which can affect the compound's conformation and interactions with biological targets. Ethyl 3,5-difluoro-α,α-dimethyl-γ-oxobenzenebutanoate may exhibit unique chemical properties, such as stability under certain conditions and potential reactivity with nucleophiles or electrophiles. Its CAS number, 898753-62-3, allows for precise identification in chemical databases, facilitating research and application in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₄H₁₆F₂O₃

InChI: InChI=1S/C14H16F2O3/c1-4-19-13(18)14(2,3)8-12(17)9-5-10(15)7-11(16)6-9/h5-7H,4,8H2,1-3H3

InChI key: InChIKey=GBETYUOFHRBTHQ-UHFFFAOYSA-N

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

Synonyms:

• Benzenebutanoic acid, 3,5-difluoro-α,α-dimethyl-γ-oxo-, ethyl ester
• Ethyl 3,5-difluoro-α,α-dimethyl-γ-oxobenzenebutanoate