CAS 898767-22-1

3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid

Description:

3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid, identified by its CAS number 898767-22-1, is a chemical compound that features a complex structure incorporating both aromatic and aliphatic components. The presence of a bromine atom at the 3-position and a methyl group at the 4-position of the benzene ring contributes to its unique reactivity and physical properties. The "ζ-oxobenzene" portion indicates the presence of a ketone functional group, which can influence the compound's acidity and reactivity. As a carboxylic acid, it exhibits typical acidic behavior, including the ability to donate protons in solution. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activity and utility in synthetic pathways. Its solubility, stability, and reactivity can vary depending on the solvent and conditions, making it a subject of interest for further research and application in organic synthesis and drug development.

Formula: C₁₄H₁₇BrO₃

InChI: InChI=1S/C14H17BrO3/c1-10-7-8-11(9-12(10)15)13(16)5-3-2-4-6-14(17)18/h7-9H,2-6H2,1H3,(H,17,18)

InChI key: InChIKey=WNACFNCYKMKAKX-UHFFFAOYSA-N

SMILES: C(CCCCCC(O)=O)(=O)C1=CC(Br)=C(C)C=C1

Synonyms:

• Benzeneheptanoic acid, 3-bromo-4-methyl-ζ-oxo-
• 3-Bromo-4-methyl-ζ-oxobenzeneheptanoic acid