CAS 898764-35-7

1-(3-Bromophenyl)-3,3-dimethyl-1-butanone

Description:

1-(3-Bromophenyl)-3,3-dimethyl-1-butanone, with the CAS number 898764-35-7, is an organic compound characterized by its ketone functional group and a bromophenyl substituent. This compound features a butanone backbone, specifically a 1-butanone structure with a 3-bromophenyl group attached to the first carbon and two methyl groups at the third carbon. The presence of the bromine atom introduces notable reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. The compound is likely to exhibit moderate polarity due to the ketone and bromine functionalities, influencing its solubility in organic solvents. Additionally, the steric hindrance from the dimethyl groups may affect its reactivity and interaction with other molecules. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if inhaled or ingested. Overall, its unique structure makes it of interest in synthetic organic chemistry and potential applications in pharmaceuticals or materials science.

Formula: C₁₂H₁₅BrO

InChI: InChI=1S/C12H15BrO/c1-12(2,3)8-11(14)9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3

InChI key: InChIKey=LXPVYOBEYLCMQE-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(3-bromophenyl)-3,3-dimethyl-
• 1-(3-Bromophenyl)-3,3-dimethyl-1-butanone