Title : Cage Hydrocarbons in Reactions with Dimethyldioxiranes, Methyl(trifluoromethyl)dioxiranes, Ditrifluoromethyldioxiranes

Research Statement

Title: Cage Hydrocarbons in Reactions with Dimethyldioxiranes, Methyl(trifluoromethyl)dioxiranes, Ditrifluoromethyldioxiranes

Objective: Aliphatic hydrocarbons are the most available organic compounds but selective activation and substitution of their unreactive C–H bonds are still among the major challenges in chemistry. The most selective electrophilic reagents could not be used for functionalization of such perpespective compounds as homodiamantanes and homoadamantanes (for use in the field of nanotechnology and pharmacological application). (D₃)-trishomocubanes (biologically active substitution in modern medical application) also could not be functionalized in position “2” by using this way. We proposed dioxiranes as an oxidising agents due to its ability to react with unactivated C–H bonds in cage hydrocarbons ((D₃)-trishomocubanes, homodiamantanes, homoadamantanes) under mild conditions with high tertiary/secondary positional selectivities, high stereoselectivities, and in good preparative yields and without generation of cation-intermidiate (you do not now this – this newer been studied before).

Research goals: Computation all possible transition structures for reactions at B3PW91/6-31G** and polarisable continuum model (PCM), the study of the properties of dioxiranes with different substitutes, comparison of the results experimentation with computations. To predict …..

Expected results: Development of Cage Hydrocarbons ((D₃)-trishomocubanes, homodiamantanes, homoadamantanes) functionalization methods. Practical methods of alcohols separation. Identification of separating compounds.

Graphical abstract: Rewrite accordingly to the research goals, show substrates, TSs…

Дата добавления: 2015-11-05