CAS 842123-96-0

1-(4-Bromophenyl)-3-(1,3-dioxolan-2-yl)-1-propanone

Description:

1-(4-Bromophenyl)-3-(1,3-dioxolan-2-yl)-1-propanone, identified by its CAS number 842123-96-0, is an organic compound characterized by its unique structural features. It contains a bromophenyl group, which contributes to its aromatic properties and potential reactivity. The presence of the 1,3-dioxolane ring introduces a cyclic ether functionality, enhancing its stability and solubility in various solvents. This compound typically exhibits moderate polarity due to the combination of its aromatic and ether functionalities. It may participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions, owing to the electron-withdrawing nature of the bromine atom. Additionally, its ketone functional group (propanone) can engage in reactions typical of carbonyl compounds, such as condensation and reduction. The compound's physical properties, such as melting point, boiling point, and solubility, would depend on its molecular interactions and the presence of substituents. Overall, this compound may have applications in organic synthesis and medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals.

Formula: C₁₂H₁₃BrO₃

InChI: InChI=1S/C12H13BrO3/c13-10-3-1-9(2-4-10)11(14)5-6-12-15-7-8-16-12/h1-4,12H,5-8H2

InChI key: InChIKey=QCCDIJQOBHCXOJ-UHFFFAOYSA-N

SMILES: C(CCC1OCCO1)(=O)C2=CC=C(Br)C=C2

Synonyms:

• 1-Propanone, 1-(4-bromophenyl)-3-(1,3-dioxolan-2-yl)-
• 1-(4-Bromophenyl)-3-(1,3-dioxolan-2-yl)-1-propanone