Computational study of a nickel catalyzed Suzuki-Miyaura coupling with diazonium salts and glycerol as solvent

• Grant number: 19/26118-4
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: February 01, 2020
• End date: July 31, 2021
• Field of knowledge: Physical Sciences and Mathematics - Chemistry
• Principal Investigator: Ataualpa Albert Carmo Braga
• Grantee: Gabriel Vasto Laurindo de Masi
• Host Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil

Abstract

Suzuki-Miyaura Cross-Coupling allows one to make a new C-C bond between an organic halide and a boronic acid, in the presence of a base and a metal catalyst, which Palladium is the most used one. In this work, we study the mechanism of a Suzuki-Miyaura coupling with Arildiazonium Salts, in the absence of a base, using Nickel as a catalyst, and glycerol as a solvent. We hope that the catalytic cycles proposed within this work allow expanding the scope of these reactions, with the use of new substrates, as well as green solvents.