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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
Effective date (Start): February 01, 2020
Effective date (End): 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


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.

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