CAS 951888-31-6

Ethyl 3-(1,3-dioxan-2-yl)-α-oxobenzeneacetate

Description:

Ethyl 3-(1,3-dioxan-2-yl)-α-oxobenzeneacetate, identified by its CAS number 951888-31-6, is an organic compound characterized by its complex structure that includes an ethyl ester group, a dioxane ring, and a ketone functionality. This compound typically exhibits moderate solubility in organic solvents due to its ester and aromatic components, while its solubility in water may be limited. The presence of the dioxane moiety suggests potential for stability and reactivity under certain conditions, making it of interest in synthetic organic chemistry. Ethyl esters generally have pleasant odors and can be used in flavor and fragrance applications. Additionally, the compound may exhibit biological activity, which could be explored for pharmaceutical applications. Its synthesis and reactivity can be influenced by the functional groups present, allowing for various chemical transformations. As with many organic compounds, safety data should be reviewed to understand its handling and potential hazards.

Formula: C₁₄H₁₆O₅

InChI: InChI=1S/C14H16O5/c1-2-17-13(16)12(15)10-5-3-6-11(9-10)14-18-7-4-8-19-14/h3,5-6,9,14H,2,4,7-8H2,1H3

InChI key: InChIKey=JLDNEWFABFVJEH-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)(=O)C=1C=C(C=CC1)C2OCCCO2

Synonyms:

• Ethyl 3-(1,3-dioxan-2-yl)-α-oxobenzeneacetate
• Benzeneacetic acid, 3-(1,3-dioxan-2-yl)-α-oxo-, ethyl ester