Author | Manfrini, Rozângela Magalhães | |
Author | Teixeira, Flávia Rodrigues | |
Author | Veloso, Dorila Piló | |
Author | Alcântara, Antônio Flávio de Carvalho | |
Author | Nelson, David Lee | |
Author | Siqueira Filho, Ezequias Pessoa de | |
Access date | 2014-05-29T19:41:10Z | |
Available date | 2014-05-29T19:41:10Z | |
Document date | 2012 | |
Citation | MANFRINI, Rozângela Magalhães et al. Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation. Quím. Nova; 2012, vol.35, n.7, pp. 1294-1298 | pt_BR |
ISSN | 0100-4042 | |
URI | https://www.arca.fiocruz.br/handle/icict/7726 | |
Language | eng | pt_BR |
Publisher | Sociedade Brasileira de Química | pt_BR |
Rights | open access | pt_BR |
Title | Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation | pt_BR |
Type | Article | pt_BR |
DOI | 10.1590/S0100-40422012000700003. | |
Abstract | The stability of N-propylbutanimine (1) was investigated under different experimental conditions. The acid-catalyzed self-condensation that produced the E-enimine (4) and Z-inimine (5) was studied by experimental analyses and theoretical calculations. Since the calculations for the energy of 5 indicated that it had a lower energy than 4, yet 4 was the principal product, the self-condensation of 1 must be kinetically controlled. | pt_BR |
Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Exatas. Departamento de Química. Belo Horizonte, MG, Brasil | pt_BR |
Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Exatas. Departamento de Química. Belo Horizonte, MG, Brasil | pt_BR |
Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Exatas. Departamento de Química. Belo Horizonte, MG, Brasil | pt_BR |
Affilliation | Universidade Federal de Minas Gerais. Instituto de Ciências Exatas. Departamento de Química. Belo Horizonte, MG, Brasil | pt_BR |
Affilliation | Universidade Federal de Minas Gerais. Faculdade de Farmácia. Departamento de Alimentos. Belo Horizonte, MG, Brasil | pt_BR |
Affilliation | Fundação Oswaldo CruzCentro de Pesquisas René Rachou. Laboratório de Química de Produtos Naturais. Belo Horizonte, MG, Brasil | pt_BR |
Subject | imine-enamine tautomerism | pt_BR |
Subject | self-condensation of aldimines | pt_BR |
Subject | DFT calculations | pt_BR |