CAS 80171-30-8

Methyl α-fluoro-3-methyl-β-oxobenzenepropanoate

Description:

Methyl α-fluoro-3-methyl-β-oxobenzenepropanoate, with the CAS number 80171-30-8, is an organic compound characterized by its ester functional group, which is derived from the reaction of a carboxylic acid and an alcohol. This compound features a fluorine atom, which can influence its reactivity and physical properties, such as polarity and boiling point. The presence of the methyl and oxo groups in its structure suggests that it may exhibit interesting chemical behavior, potentially participating in various reactions typical of esters, such as hydrolysis or transesterification. Additionally, the aromatic ring contributes to the compound's stability and may affect its solubility in organic solvents. Methyl α-fluoro-3-methyl-β-oxobenzenepropanoate may have applications in pharmaceuticals or agrochemicals, where fluorinated compounds are often valued for their unique properties. However, specific data regarding its toxicity, environmental impact, and detailed reactivity would require further investigation and analysis.

Formula: C₁₁H₁₁FO₃

InChI: InChI=1S/C11H11FO3/c1-7-4-3-5-8(6-7)10(13)9(12)11(14)15-2/h3-6,9H,1-2H3

InChI key: InChIKey=KOIMXSMNZCYNPB-UHFFFAOYSA-N

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

Synonyms:

• Benzenepropanoic acid, α-fluoro-3-methyl-β-oxo-, methyl ester
• Methyl α-fluoro-3-methyl-β-oxobenzenepropanoate