CAS 898756-01-9

1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone

Description:

1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone, with the CAS number 898756-01-9, is an organic compound characterized by its complex molecular structure, which includes a butanone moiety and a substituted phenyl group. The presence of two methoxy groups on the phenyl ring enhances its electron-donating properties, potentially influencing its reactivity and solubility in organic solvents. The dioxane ring contributes to the compound's stability and may affect its interaction with biological systems. This compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic components, which can influence its pharmacokinetic properties if considered for medicinal applications. Additionally, the presence of multiple functional groups suggests potential for diverse chemical reactivity, making it a candidate for further synthetic modifications or applications in organic synthesis. As with many organic compounds, safety data and handling precautions should be reviewed before use, as the specific toxicity and environmental impact are not universally established.

Formula: C₁₈H₂₆O₅

InChI: InChI=1S/C18H26O5/c1-18(2)11-22-16(23-12-18)10-6-8-14(19)13-7-5-9-15(20-3)17(13)21-4/h5,7,9,16H,6,8,10-12H2,1-4H3

InChI key: InChIKey=KLLBIYSNVTUGFY-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 1-(2,3-dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-
• 1-(2,3-Dimethoxyphenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone