Organocatalysis: design, synthesis and applications in stereoselective organic reactions

Abstract

This proposal focuses on the use of computational methods for the development of organic catalysts along with their applications in synthetically useful stereoselective reactions. The rational design of new chiral catalysts has been a challenge to chemistry. Thus, molecular modeling applied to stereoselective catalysis will have crucial role in this project, aimed at developing new technologies that address the current and future needs of the chemistry and the society in general.The asymmetric organocatalysis is an area that has vast potential for the synthesis of synthetic intermediates with high added value. We intend to cooperate with this expanding area of research, investigating the synthesis and application of novel catalysts and substrates in reactions rarely or never explored in organocatalysis. We seek to develop new chiral organocatalysts based on thiourea functional group, applying them in various stereoselective reactions of interest, such as: Henry reaction (nitroaldol), Michael reaction, Friedel-Crafts/Michael reaction and Michael/Henry reaction.During the progress of the study, we intend to introduce and consolidate a new line of research in the field of asymmetric catalysis guided by theoretical calculations at UNIFESP-Diadema. We also intend to train human resources in this field. (AU)