CAS 898757-32-9

1-(2-Chloro-4,5-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone

Description:

1-(2-Chloro-4,5-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone, with the CAS number 898757-32-9, is a synthetic organic compound characterized by its complex structure, which includes a chloro-substituted aromatic ring and a dioxane moiety. The presence of the chloro and difluoro substituents on the phenyl ring suggests potential for varied reactivity and biological activity, possibly influencing its pharmacological properties. The dioxane ring contributes to the compound's stability and solubility in organic solvents. This compound may exhibit interesting properties such as lipophilicity due to the bulky dimethyl groups, which can affect its interaction with biological systems. Additionally, the butanone functional group indicates that it may participate in various chemical reactions typical of ketones, such as nucleophilic additions. Overall, the unique combination of functional groups in this compound suggests potential applications in medicinal chemistry or as an intermediate in organic synthesis, although specific biological or industrial applications would require further investigation.

Formula: C₁₆H₁₉ClF₂O₃

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

InChI key: InChIKey=JGLMUBQVZBXFNV-UHFFFAOYSA-N

SMILES: C(CCCC1OCC(C)(C)CO1)(=O)C2=C(Cl)C=C(F)C(F)=C2

Synonyms:

• 1-Butanone, 1-(2-chloro-4,5-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-
• 1-(2-Chloro-4,5-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone