CAS 951888-58-7

Ethyl 3-fluoro-5-methyl-α-oxobenzeneacetate

Description:

Ethyl 3-fluoro-5-methyl-α-oxobenzeneacetate, with the CAS number 951888-58-7, is an organic compound characterized by its ester functional group and the presence of a fluorine atom on the aromatic ring. This compound features a benzene ring substituted with a methyl group and a fluoro group, contributing to its unique chemical properties. The α-oxobenzeneacetate structure indicates that it contains a ketone functional group adjacent to the ester, which can influence its reactivity and interactions with other molecules. Ethyl 3-fluoro-5-methyl-α-oxobenzeneacetate is likely to exhibit moderate polarity due to the presence of both the ester and ketone functionalities, affecting its solubility in various solvents. Additionally, the fluorine substitution can enhance the compound's stability and alter its electronic properties, making it of interest in medicinal chemistry and materials science. Its synthesis and applications may involve reactions typical of esters and aromatic compounds, including nucleophilic substitutions and electrophilic aromatic substitutions.

Formula: C₁₁H₁₁FO₃

InChI: InChI=1S/C11H11FO3/c1-3-15-11(14)10(13)8-4-7(2)5-9(12)6-8/h4-6H,3H2,1-2H3

InChI key: InChIKey=KHAODLPYPPTYSW-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3-fluoro-5-methyl-α-oxobenzeneacetate
• Benzeneacetic acid, 3-fluoro-5-methyl-α-oxo-, ethyl ester