General information
The aim of the presented project is to strengthen the newly created "Asymmetric Catalysis" Scientific Group which is created within the framework of the HESC "SCG 2021 Competition" grant. The goal of scientific research is to obtain new derivatives of functionally substituted azoles based on 1,2,4- and 1,2,3-triazoles, which can be used in asymmetric synthesis, as Bronsted bases and/or ligands in reactions catalyzed by transition metals. With the help of quantum chemical calculations, including DFT, using the Gaussian 16 program, design applicable structures for model reactions and identify the optimal mechanism of the catalytic reaction in silico environment. Study the catalytic activity of the synthesized compounds in a number of model reactions and evaluate their regio- and stereoselectivity depending on the structure of the reagent, substrate and catalyst. If possible, study the catalytic activity of the synthesized compounds incross-coupling reactions catalyzed by transition metals Pd, Cu, Ni, for example Tsuji-Trosti, and evaluate their regio- and stereoselectivity. Identify and develop analytical methods to evaluate the stereoselectivity of a reaction.
