CAS 898757-15-8

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-butanone

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-butanone, with the CAS number 898757-15-8, is a synthetic organic compound characterized by its complex molecular structure, which includes a dioxane ring and a butanone moiety. This compound features a 3-iodo-4-methylphenyl group, contributing to its potential reactivity and biological activity. The presence of the dioxane ring suggests that it may exhibit unique solubility and stability properties, making it of interest in various chemical applications. Typically, compounds like this may be investigated for their potential use in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Its specific physical properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and functional groups present. Safety and handling considerations are essential, particularly due to the iodine substituent, which can impart toxicity and require careful management in laboratory settings. Overall, this compound represents a class of molecules that may have significant implications in medicinal chemistry and material science.

Formula: C₁₇H₂₃IO₃

InChI: InChI=1S/C17H23IO3/c1-12-7-8-13(9-14(12)18)15(19)5-4-6-16-20-10-17(2,3)11-21-16/h7-9,16H,4-6,10-11H2,1-3H3

InChI key: InChIKey=FLKGBMIRIJSHDF-UHFFFAOYSA-N

SMILES: C(CCCC1OCC(C)(C)CO1)(=O)C2=CC(I)=C(C)C=C2

Synonyms:

• 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-1-butanone
• 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(3-iodo-4-methylphenyl)-