CAS 845781-38-6

3,4-Dichloro-β-methyl-δ-oxobenzenepentanoic acid

Description:

3,4-Dichloro-β-methyl-δ-oxobenzenepentanoic acid, identified by its CAS number 845781-38-6, is a synthetic organic compound characterized by its complex structure, which includes a benzene ring substituted with two chlorine atoms and a pentanoic acid chain. The presence of the β-methyl and δ-oxo functional groups indicates that it has both aliphatic and aromatic characteristics, contributing to its potential reactivity and biological activity. The dichloro substitution pattern suggests that it may exhibit unique electronic properties, influencing its interactions in chemical reactions. This compound may be of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications. Its solubility, stability, and reactivity would depend on the specific conditions, such as pH and solvent used. As with many chlorinated compounds, it is essential to consider environmental and health implications, including toxicity and persistence in biological systems. Further studies would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₂H₁₂Cl₂O₃

InChI: InChI=1S/C12H12Cl2O3/c1-7(5-12(16)17)4-11(15)8-2-3-9(13)10(14)6-8/h2-3,6-7H,4-5H2,1H3,(H,16,17)

InChI key: InChIKey=ZTILJBHQENWYQA-UHFFFAOYSA-N

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

Synonyms:

• Benzenepentanoic acid, 3,4-dichloro-β-methyl-δ-oxo-
• 3,4-Dichloro-β-methyl-δ-oxobenzenepentanoic acid
• 5-(3,4-DICHLOROPHENYL)-3-METHYL-5-OXOVALERIC ACID