"Organocatalysis: design, synthesis and applications of new organocatalysts in stereoselective Henry (nitroaldol) Reactions"

• Grant number: 13/20478-2
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: December 01, 2013
• End date: November 30, 2014
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Organic Chemistry
• Principal Investigator: Alessandro Rodrigues
• Grantee: Alessandra Aparecida de Godoy Fernandes
• Host Institution: Instituto de Ciências Ambientais, Químicas e Farmacêuticas (ICAQF). Universidade Federal de São Paulo (UNIFESP). Campus Diadema. Diadema , SP, Brazil

Abstract

This proposal focuses on the use of computational methods for the development of organic catalysts along with their applications in stereoselective Henry (nitroaldol) 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. We seek to develop new chiral organocatalysts based on thiourea functional group, applying them in Henry (nitroaldol) reaction, involving benzaldehyde derivatives and the nitromethane.