CAS 898757-41-0

1-(4-chloro-2,5-difluoro-phenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one

Description:

1-(4-chloro-2,5-difluoro-phenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one, with the CAS number 898757-41-0, is a synthetic organic compound characterized by its complex structure, which includes a butanone moiety linked to a phenyl ring substituted with chlorine and fluorine atoms. The presence of the 1,3-dioxane ring contributes to its potential solubility and reactivity, while the difluorophenyl group may influence its electronic properties and biological activity. This compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic aromatic and aliphatic components, which can affect its interaction with biological systems. Its unique combination of functional groups suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization. Safety and handling considerations should also be taken into account, given the presence of halogenated substituents, which can pose environmental and health risks.

Formula: C₁₆H₁₉ClF₂O₃

InChI: InChI=1/C16H19ClF2O3/c1-16(2)8-21-15(22-9-16)5-3-4-14(20)10-6-13(19)11(17)7-12(10)18/h6-7,15H,3-5,8-9H2,1-2H3

SMILES: CC1(C)COC(CCCC(=O)c2cc(c(cc2F)Cl)F)OC1