CAS 898767-37-8

4-Bromo-2-methyl-ζ-oxobenzeneheptanoic acid

Description:

4-Bromo-2-methyl-ζ-oxobenzeneheptanoic acid, identified by its CAS number 898767-37-8, is a chemical compound that features a complex structure characterized by the presence of a bromine atom, a methyl group, and a carboxylic acid functional group. This compound belongs to the class of aromatic carboxylic acids, which typically exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group. The bromine substituent can influence the compound's reactivity and physical properties, such as boiling and melting points, as well as its potential applications in organic synthesis and pharmaceuticals. The presence of the oxo group indicates that it may participate in various chemical reactions, including nucleophilic additions and condensation reactions. Additionally, the heptanoic acid chain contributes to its hydrophobic characteristics, which may affect its behavior in biological systems and its interaction with other molecules. Overall, this compound's unique structure suggests potential utility in research and industrial applications, particularly in the development of new materials or therapeutic agents.

Formula: C₁₄H₁₇BrO₃

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

InChI key: InChIKey=NWSIAXUGLJCTRU-UHFFFAOYSA-N

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

Synonyms:

• Benzeneheptanoic acid, 4-bromo-2-methyl-ζ-oxo-
• 4-Bromo-2-methyl-ζ-oxobenzeneheptanoic acid