CAS 898786-53-3

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxyphenyl)-1-pentanone

Description:

5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxyphenyl)-1-pentanone, with the CAS number 898786-53-3, is an organic compound characterized by its complex structure, which includes a dioxane ring and a ketone functional group. This compound features a pentanone backbone, indicating the presence of a five-carbon chain with a ketone at one end. The dioxane moiety contributes to its potential solubility in various organic solvents, while the methoxyphenyl group enhances its aromatic characteristics. The presence of the dimethyl substituents on the dioxane ring may influence its steric properties and reactivity. This compound is likely to exhibit moderate polarity due to the combination of hydrophobic alkyl chains and polar functional groups. Its unique structure suggests potential applications in organic synthesis, pharmaceuticals, or as an intermediate in chemical reactions. However, specific properties such as melting point, boiling point, and reactivity would require empirical data for precise characterization.

Formula: C₁₈H₂₆O₄

InChI: InChI=1S/C18H26O4/c1-18(2)12-21-17(22-13-18)7-5-4-6-16(19)14-8-10-15(20-3)11-9-14/h8-11,17H,4-7,12-13H2,1-3H3

InChI key: InChIKey=NETZMRFTWQQOKK-UHFFFAOYSA-N

SMILES: C(CCCCC1OCC(C)(C)CO1)(=O)C2=CC=C(OC)C=C2

Synonyms:

• 5-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-(4-methoxyphenyl)-1-pentanone
• 1-Pentanone, 5-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-methoxyphenyl)-