CAS 898785-68-7

1-(3-Bromophenyl)-3-(1,3-dioxan-2-yl)-1-propanone

Description:

1-(3-Bromophenyl)-3-(1,3-dioxan-2-yl)-1-propanone, with the CAS number 898785-68-7, is an organic compound characterized by its unique structure that includes a bromophenyl group and a dioxane moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its reactivity and solubility. The presence of the bromine atom introduces significant electronegativity, potentially enhancing the compound's reactivity in electrophilic substitution reactions. The dioxane ring contributes to the compound's stability and may also affect its solubility in polar solvents. As a ketone, it features a carbonyl group, which is known for its ability to participate in various chemical reactions, including nucleophilic additions. The compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can interact with biological targets. Overall, this compound's characteristics make it a subject of interest in synthetic organic chemistry and drug development.

Formula: C₁₃H₁₅BrO₃

InChI: InChI=1S/C13H15BrO3/c14-11-4-1-3-10(9-11)12(15)5-6-13-16-7-2-8-17-13/h1,3-4,9,13H,2,5-8H2

InChI key: InChIKey=NCLLIUUWESDHTC-UHFFFAOYSA-N

SMILES: C(CCC1OCCCO1)(=O)C2=CC(Br)=CC=C2

Synonyms:

• 1-(3-Bromophenyl)-3-(1,3-dioxan-2-yl)-1-propanone
• 1-Propanone, 1-(3-Bromophenyl)-3-(1,3-Dioxan-2-Yl)-