CAS 898785-84-7

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

Description:

1-(3-Chlorophenyl)-3-(1,3-dioxan-2-yl)-1-propanone, identified by its CAS number 898785-84-7, is an organic compound characterized by its unique structural features. It contains a propanone moiety, which is a ketone functional group, and is substituted with a 3-chlorophenyl group, contributing to its aromatic properties. Additionally, the presence of a 1,3-dioxane ring introduces a cyclic ether component, which can influence the compound's solubility and reactivity. This compound is likely to exhibit moderate polarity due to the combination of hydrophobic aromatic and hydrophilic dioxane functionalities. Its chlorophenyl group may impart biological activity, making it of interest in pharmaceutical research. The compound's synthesis and applications could be relevant in medicinal chemistry, particularly in the development of new therapeutic agents. As with many organic compounds, its stability, reactivity, and potential applications would depend on specific environmental conditions and the presence of other reactants or catalysts. Safety data and handling precautions should be considered when working with this substance in a laboratory setting.

Formula: C₁₃H₁₅ClO₃

InChI: InChI=1S/C13H15ClO3/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=AVUDVAWIHCDGKL-UHFFFAOYSA-N

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

Synonyms:

• 1-(3-Chlorophenyl)-3-(1,3-dioxan-2-yl)-1-propanone
• 1-Propanone, 1-(3-Chlorophenyl)-3-(1,3-Dioxan-2-Yl)-
• 1-(3-Chlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one