CAS 898756-76-8

4-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile

Description:

4-[4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanoyl]benzonitrile, with the CAS number 898756-76-8, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a dioxane derivative. This compound features a dioxan ring that contributes to its stability and solubility properties, while the benzonitrile group provides potential for various chemical interactions, including nucleophilic substitutions and electrophilic additions. The presence of the butanoyl group enhances its reactivity and may influence its biological activity. Typically, compounds of this nature are investigated for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The specific physical properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which the compound is studied. Additionally, safety and handling considerations are essential, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₁₇H₂₁NO₃

InChI: InChI=1/C17H21NO3/c1-17(2)11-20-16(21-12-17)5-3-4-15(19)14-8-6-13(10-18)7-9-14/h6-9,16H,3-5,11-12H2,1-2H3

SMILES: CC1(C)COC(CCCC(=O)c2ccc(cc2)C#N)OC1

4′-Cyano-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone

CAS: 898756-76-8

Formula: C₁₇H₂₁NO₃

Purity: 97.0%

Molecular weight: 287.359

Ref: 10-F208441