CAS 898765-68-9

1-(4-Bromo-3-fluorophenyl)-2,2-dimethyl-1-butanone

Description:

1-(4-Bromo-3-fluorophenyl)-2,2-dimethyl-1-butanone is an organic compound characterized by its unique structure, which includes a ketone functional group and a substituted aromatic ring. The presence of a bromine and a fluorine atom on the phenyl ring contributes to its reactivity and potential applications in various chemical reactions. This compound typically exhibits moderate polarity due to the electronegative halogen substituents, influencing its solubility in organic solvents. Its molecular structure suggests that it may participate in electrophilic aromatic substitution reactions, as well as nucleophilic attacks at the carbonyl carbon. The bulky dimethyl groups adjacent to the carbonyl may hinder certain reactions, providing steric effects that can be significant in synthetic pathways. Additionally, the compound's properties, such as boiling point and melting point, are influenced by the molecular weight and the presence of halogens. Overall, 1-(4-Bromo-3-fluorophenyl)-2,2-dimethyl-1-butanone is of interest in medicinal chemistry and materials science due to its potential biological activity and utility in the synthesis of more complex molecules.

Formula: C₁₂H₁₄BrFO

InChI: InChI=1S/C12H14BrFO/c1-4-12(2,3)11(15)8-5-6-9(13)10(14)7-8/h5-7H,4H2,1-3H3

InChI key: InChIKey=AYCLJOQEBNEUGK-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(4-bromo-3-fluorophenyl)-2,2-dimethyl-
• 1-(4-Bromo-3-fluorophenyl)-2,2-dimethyl-1-butanone