A DFT study on the formation of heterocycles via iodine(iii)-promoted ring expansion reactions

Author:

Lussari Natália1ORCID,Khan Ajmir12ORCID,Pilli Ronaldo A.3ORCID,Dos Santos Alcindo A.1ORCID,Silva Luiz F.1,Braga Ataualpa A. C.1ORCID

Affiliation:

1. Departamento de Química Fundamental, Instituto de Química, Universidade de São Paulo, Av. Prof. Lineu Prestes, 748, São Paulo, SP CEP 05508-000, Brazil

2. School of Packaging, Michigan State University, 448 Wilson Road, East Lansing, MI 48824-1223, USA

3. Institute of Chemistry, University of Campinas, 13083-970 Campinas, SP, Brazil

Abstract

Combined computational–experimental study to elucidate the mechanism of HTIB-promoted ring expansion reaction of bicyclic heterocycles bearing an exocyclic double bond.

Funder

Fundação de Amparo à Pesquisa do Estado de São Paulo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

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