CAS 898765-76-9

1-(2-Fluorophenyl)-2,2-dimethyl-1-butanone

Description:

1-(2-Fluorophenyl)-2,2-dimethyl-1-butanone, identified by its CAS number 898765-76-9, is an organic compound characterized by its ketone functional group and a substituted aromatic ring. The presence of a fluorine atom on the phenyl group influences its chemical reactivity and physical properties, such as polarity and boiling point. This compound typically exhibits a relatively low volatility due to its larger molecular structure, which can affect its solubility in various solvents. The dimethyl substitution on the butanone backbone contributes to steric hindrance, potentially impacting its reactivity in nucleophilic addition reactions. Additionally, the compound may display interesting biological activities, making it of interest in medicinal chemistry and material science. Its synthesis and handling require standard laboratory safety protocols due to the presence of the fluorine atom, which can impart unique toxicological properties. Overall, 1-(2-Fluorophenyl)-2,2-dimethyl-1-butanone represents a versatile structure for further chemical exploration and application in various fields.

Formula: C₁₂H₁₅FO

InChI: InChI=1S/C12H15FO/c1-4-12(2,3)11(14)9-7-5-6-8-10(9)13/h5-8H,4H2,1-3H3

InChI key: InChIKey=PWRFZWXSNABNGM-UHFFFAOYSA-N

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

Synonyms:

• 1-(2-Fluorophenyl)-2,2-dimethyl-1-butanone
• 1-Butanone, 1-(2-fluorophenyl)-2,2-dimethyl-