CAS 1019021-86-3

3-Fluoro-4-methyl-β-oxobenzenepropanal

Description:

3-Fluoro-4-methyl-β-oxobenzenepropanal, identified by its CAS number 1019021-86-3, is an organic compound characterized by the presence of a fluorine atom, a methyl group, and a β-oxoketone functional group within its structure. This compound features a benzene ring that is substituted at the 3-position with a fluorine atom and at the 4-position with a methyl group, contributing to its unique reactivity and properties. The β-oxobenzenepropanal moiety indicates the presence of an aldehyde functional group, which is known for its reactivity in various organic reactions, including nucleophilic addition and condensation reactions. The fluorine substitution can enhance the compound's lipophilicity and influence its biological activity, making it of interest in medicinal chemistry and material science. Overall, the compound's structure suggests potential applications in pharmaceuticals and agrochemicals, although specific applications would depend on further research into its reactivity and biological properties.

Formula: C₁₀H₉FO₂

InChI: InChI=1S/C10H9FO2/c1-7-2-3-8(6-9(7)11)10(13)4-5-12/h2-3,5-6H,4H2,1H3

InChI key: InChIKey=SLJVCQDJPOEBBE-UHFFFAOYSA-N

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

Synonyms:

• 3-Fluoro-4-methyl-β-oxobenzenepropanal
• Benzenepropanal, 3-fluoro-4-methyl-β-oxo-