CAS 898785-88-1

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

Description:

1-(3-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone, with the CAS number 898785-88-1, is an organic compound characterized by its complex structure, which includes a chlorophenyl group and a dioxane moiety. This compound typically exhibits a moderate to high molecular weight due to the presence of multiple functional groups. The chlorophenyl group contributes to its potential for biological activity, as halogenated aromatic compounds often exhibit unique reactivity and interaction with biological systems. The dioxane ring enhances the compound's stability and solubility in organic solvents, making it useful in various chemical applications. Additionally, the presence of the butanone functional group suggests potential ketone reactivity, which can be exploited in synthetic chemistry. Overall, this compound may be of interest in medicinal chemistry and material science due to its structural features and potential reactivity. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₆H₂₁ClO₃

InChI: InChI=1/C16H21ClO3/c1-16(2)10-19-15(20-11-16)8-4-7-14(18)12-5-3-6-13(17)9-12/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3

InChI key: InChIKey=UTIJNFOMFNJRMQ-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(3-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-
• 1-(3-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• 3'-CHLORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE