Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation

Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation

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.

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Main Authors: Manfrini,Rozângela Magalhães, Teixeira,Flávia Rodrigues, Piló-Veloso,Dorila, Alcântara,Antônio Flávio de Carvalho, Nelson,David Lee, Siqueira,Ezequias Pessoa de
Format: Digital revista
Language:English
Published: Sociedade Brasileira de Química 2012
Online Access:http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003
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spelling oai:scielo:S0100-404220120007000032012-08-16Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculationManfrini,Rozângela MagalhãesTeixeira,Flávia RodriguesPiló-Veloso,DorilaAlcântara,Antônio Flávio de CarvalhoNelson,David LeeSiqueira,Ezequias Pessoa de imine-enamine tautomerism self-condensation of aldimines DFT calculations 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.info:eu-repo/semantics/openAccessSociedade Brasileira de QuímicaQuímica Nova v.35 n.7 20122012-01-01info:eu-repo/semantics/articletext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003en10.1590/S0100-40422012000700003
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country Brasil
countrycode BR
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libraryname SciELO
language English
format Digital
author Manfrini,Rozângela Magalhães
Teixeira,Flávia Rodrigues
Piló-Veloso,Dorila
Alcântara,Antônio Flávio de Carvalho
Nelson,David Lee
Siqueira,Ezequias Pessoa de
spellingShingle Manfrini,Rozângela Magalhães
Teixeira,Flávia Rodrigues
Piló-Veloso,Dorila
Alcântara,Antônio Flávio de Carvalho
Nelson,David Lee
Siqueira,Ezequias Pessoa de
Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
author_facet Manfrini,Rozângela Magalhães
Teixeira,Flávia Rodrigues
Piló-Veloso,Dorila
Alcântara,Antônio Flávio de Carvalho
Nelson,David Lee
Siqueira,Ezequias Pessoa de
author_sort Manfrini,Rozângela Magalhães
title Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
title_short Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
title_full Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
title_fullStr Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
title_full_unstemmed Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
title_sort self-condensation of n-(n-propyl)butanimine: nmr and mass spectral analyses and investigation by theoretical calculation
description 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.
publisher Sociedade Brasileira de Química
publishDate 2012
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003
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