CAS 898760-94-6

1-(4-bromo-3-methyl-phenyl)-5-chloro-pentan-1-one

Description:

1-(4-bromo-3-methyl-phenyl)-5-chloro-pentan-1-one, with the CAS number 898760-94-6, is an organic compound characterized by its complex structure, which includes a pentanone backbone substituted with both a bromo and a chloro group. This compound features a phenyl ring that is further substituted with a bromo atom and a methyl group, contributing to its unique reactivity and potential applications in organic synthesis. The presence of halogen atoms (bromine and chlorine) typically enhances the compound's electrophilic character, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. The ketone functional group (indicated by the "pentan-1-one" part of the name) suggests that it may exhibit typical ketone reactivity, such as undergoing condensation reactions. Additionally, the compound's molecular structure may influence its physical properties, such as solubility and boiling point, which are important for its handling and application in laboratory settings. Overall, this compound is of interest in medicinal chemistry and materials science due to its potential biological activity and utility in synthetic pathways.

Formula: C₁₂H₁₄BrClO

InChI: InChI=1/C12H14BrClO/c1-9-8-10(5-6-11(9)13)12(15)4-2-3-7-14/h5-6,8H,2-4,7H2,1H3

SMILES: Cc1cc(ccc1Br)C(=O)CCCCCl