CAS 898785-56-3

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

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(3-iodophenyl)-1-butanone, with the CAS number 898785-56-3, is a synthetic organic compound characterized by its complex molecular structure. It features a butanone backbone, which is a ketone, indicating the presence of a carbonyl group (C=O) within its structure. The compound also contains a dioxane ring, contributing to its cyclic nature and potentially influencing its solubility and reactivity. The presence of a 3-iodophenyl group suggests that it may exhibit unique electronic properties due to the iodine substituent, which can affect its reactivity and interactions with other molecules. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activity and utility in synthesizing other chemical entities. Its specific characteristics, such as melting point, boiling point, and solubility, would require empirical data for precise determination, but its structural features indicate a level of complexity that could lead to diverse applications.

Formula: C₁₆H₂₁IO₃

InChI: InChI=1S/C16H21IO3/c1-16(2)10-19-15(20-11-16)8-4-7-14(18)12-5-3-6-13(17)9-12/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3

InChI key: InChIKey=GWKLMGQDHSPQQW-UHFFFAOYSA-N

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

Synonyms:

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