CAS 898785-46-1

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

Description:

3-(1,3-Dioxan-2-yl)-1-(2-iodophenyl)-1-propanone, identified by its CAS number 898785-46-1, is an organic compound characterized by its unique structural features. It contains a dioxane ring, which contributes to its stability and solubility in various solvents. The presence of the 2-iodophenyl group enhances its reactivity, making it a potential candidate for various chemical reactions, including electrophilic substitutions. This compound typically exhibits moderate to high polarity due to the functional groups present, which can influence its interactions in biological systems and chemical environments. Additionally, the ketone functional group (propanone) suggests that it may participate in condensation reactions or serve as a precursor in synthetic pathways. Its molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific safety and handling guidelines should be adhered to, as the iodine substituent may impart certain hazards associated with halogenated compounds. Overall, this compound's unique characteristics make it a subject of interest in organic synthesis and material science.

Formula: C₁₃H₁₅IO₃

InChI: InChI=1S/C13H15IO3/c14-11-5-2-1-4-10(11)12(15)6-7-13-16-8-3-9-17-13/h1-2,4-5,13H,3,6-9H2

InChI key: InChIKey=ZWSGHDZGOKQSSI-UHFFFAOYSA-N

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

Synonyms:

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