CAS 898785-52-9

3-(1,3-Dioxan-2-yl)-1-(4-iodophenyl)-1-propanone

Description:

3-(1,3-Dioxan-2-yl)-1-(4-iodophenyl)-1-propanone, with the CAS number 898785-52-9, is an organic compound characterized by its unique structural features. It contains a dioxane ring, which contributes to its cyclic ether properties, and a propanone moiety that indicates the presence of a ketone functional group. The compound also features a 4-iodophenyl group, introducing an iodine atom that can influence its reactivity and physical properties, such as solubility and polarity. Typically, compounds of this nature may exhibit moderate to high lipophilicity due to the presence of aromatic and aliphatic components. The dioxane ring can enhance stability and solubility in organic solvents. Additionally, the presence of the iodine substituent may provide opportunities for further chemical modifications or reactions, such as nucleophilic substitutions. Overall, this compound may find applications in organic synthesis, medicinal chemistry, or as an intermediate in the production of more complex molecules. However, specific properties such as melting point, boiling point, and reactivity would need to be determined through experimental data.

Formula: C₁₃H₁₅IO₃

InChI: InChI=1S/C13H15IO3/c14-11-4-2-10(3-5-11)12(15)6-7-13-16-8-1-9-17-13/h2-5,13H,1,6-9H2

InChI key: InChIKey=PXUXVZGRGYZBOX-UHFFFAOYSA-N

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

Synonyms:

• 1-Propanone, 3-(1,3-dioxan-2-yl)-1-(4-iodophenyl)-
• 3-(1,3-Dioxan-2-yl)-1-(4-iodophenyl)-1-propanone