CAS 898786-65-7

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1-butanone

Description:

4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1-butanone, with the CAS number 898786-65-7, is a synthetic organic compound characterized by its complex molecular structure. It features a dioxane ring, which contributes to its stability and solubility properties, along with a butanone moiety that indicates the presence of a ketone functional group. The trifluoromethyl group attached to the phenyl ring enhances the compound's lipophilicity and can influence its reactivity and biological activity. This compound may exhibit interesting properties such as potential use in pharmaceuticals or agrochemicals due to its unique structural features. Additionally, the presence of multiple functional groups suggests that it could participate in various chemical reactions, making it a candidate for further research in synthetic chemistry. Safety and handling precautions should be observed, as with any chemical substance, particularly those with halogenated groups, which may pose environmental or health risks.

Formula: C₁₇H₂₁F₃O₃

InChI: InChI=1S/C17H21F3O3/c1-16(2)10-22-15(23-11-16)5-3-4-14(21)12-6-8-13(9-7-12)17(18,19)20/h6-9,15H,3-5,10-11H2,1-2H3

InChI key: InChIKey=RBXUGUQQCVRXDU-UHFFFAOYSA-N

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

Synonyms:

• 1-Butanone, 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-
• 4-(5,5-Dimethyl-1,3-dioxan-2-yl)-1-[4-(trifluoromethyl)phenyl]-1-butanone