CAS 898785-90-5

1-(4-chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one

Description:

1-(4-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one, with the CAS number 898785-90-5, is a synthetic organic compound that belongs to the class of ketones. It features a butanone backbone substituted with a 4-chlorophenyl group and a 5,5-dimethyl-1,3-dioxane moiety, which contributes to its unique structural and chemical properties. The presence of the chlorophenyl group enhances its lipophilicity, potentially influencing its biological activity and interaction with various receptors. The dioxane ring adds to the compound's stability and may affect its solubility in organic solvents. This compound is of interest in medicinal chemistry and pharmacology, as its structural features may confer specific therapeutic properties. However, detailed studies on its biological activity, toxicity, and environmental impact are necessary to fully understand its potential applications and safety profile. As with many synthetic compounds, proper handling and safety precautions should be observed due to potential hazards associated with its chemical structure.

Formula: C₁₆H₂₁ClO₃

InChI: InChI=1/C16H21ClO3/c1-16(2)10-19-15(20-11-16)5-3-4-14(18)12-6-8-13(17)9-7-12/h6-9,15H,3-5,10-11H2,1-2H3

InChI key: InChIKey=GMBGSQXZUFAJIE-UHFFFAOYSA-N

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