CAS 898785-72-3

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

Description:

1-(3-Bromophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone, with the CAS number 898785-72-3, is an organic compound characterized by its complex structure, which includes a bromophenyl group and a dioxane moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility in various organic solvents. The presence of the bromine atom enhances its electrophilic character, making it a candidate for further chemical transformations. The dioxane ring introduces a degree of rigidity and may influence the compound's physical properties, such as boiling point and melting point. Additionally, the butanone functional group suggests potential applications in synthesis and as an intermediate in organic chemistry. Overall, this compound's unique structural features may lend it utility in pharmaceuticals, agrochemicals, or materials science, although specific applications would depend on further research and exploration of its chemical behavior.

Formula: C₁₆H₂₁BrO₃

InChI: InChI=1S/C16H21BrO3/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=ILAGKRUYPSLJFZ-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(3-bromophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-
• 1-(3-Bromophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone