CAS 898764-68-6

1-(2-Chlorophenyl)-3,3-dimethyl-1-butanone

Description:

1-(2-Chlorophenyl)-3,3-dimethyl-1-butanone, identified by its CAS number 898764-68-6, is an organic compound characterized by its ketone functional group and a substituted aromatic ring. This compound features a 2-chlorophenyl group, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the dimethyl group enhances its steric bulk, influencing its physical properties such as boiling point and solubility. Typically, compounds of this nature may exhibit moderate to high lipophilicity, affecting their behavior in biological systems. Additionally, the chlorophenyl moiety can impart unique electronic properties, potentially making it a candidate for further chemical modifications or as an intermediate in synthetic pathways. Safety data and handling precautions should be considered, as with many organic compounds, due to potential toxicity or environmental impact. Overall, 1-(2-Chlorophenyl)-3,3-dimethyl-1-butanone represents a versatile structure in organic chemistry with implications for research and industrial applications.

Formula: C₁₂H₁₅ClO

InChI: InChI=1S/C12H15ClO/c1-12(2,3)8-11(14)9-6-4-5-7-10(9)13/h4-7H,8H2,1-3H3

InChI key: InChIKey=XQLMESJVWPRFFT-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(2-chlorophenyl)-3,3-dimethyl-
• 1-(2-Chlorophenyl)-3,3-dimethyl-1-butanone