CAS 898781-10-7

1-(2,4-Difluorophenyl)-3-(3,5-dimethylphenyl)-1-propanone

Description:

1-(2,4-Difluorophenyl)-3-(3,5-dimethylphenyl)-1-propanone, identified by its CAS number 898781-10-7, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone substituted with a 2,4-difluorophenyl group and a 3,5-dimethylphenyl group, contributing to its unique chemical properties. The presence of fluorine atoms enhances its lipophilicity and can influence its reactivity and interaction with biological systems. The dimethyl substitution on the phenyl ring increases steric hindrance, which may affect its conformational flexibility and overall stability. This compound is typically used in synthetic organic chemistry and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the presence of functional groups. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₇H₁₆F₂O

InChI: InChI=1S/C17H16F2O/c1-11-7-12(2)9-13(8-11)3-6-17(20)15-5-4-14(18)10-16(15)19/h4-5,7-10H,3,6H2,1-2H3

InChI key: InChIKey=PVYRHUOOJKEYSB-UHFFFAOYSA-N

SMILES: C(CC(=O)C1=C(F)C=C(F)C=C1)C2=CC(C)=CC(C)=C2

Synonyms:

• 2′,4′-Difluoro-3-(3,5-dimethylphenyl)propiophenone
• 1-Propanone, 1-(2,4-difluorophenyl)-3-(3,5-dimethylphenyl)-
• 1-(2,4-Difluorophenyl)-3-(3,5-dimethylphenyl)-1-propanone