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

Detalhes bibliográficos
Autor(a) principal: Manfrini,Rozângela Magalhães
Data de Publicação: 2012
Outros Autores: Teixeira,Flávia Rodrigues, Piló-Veloso,Dorila, Alcântara,Antônio Flávio de Carvalho, Nelson,David Lee, Siqueira,Ezequias Pessoa de
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Química Nova (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003
Resumo: 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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spelling Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculationimine-enamine tautomerismself-condensation of aldiminesDFT calculationsThe 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.Sociedade Brasileira de Química2012-01-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003Química Nova v.35 n.7 2012reponame:Química Nova (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0100-40422012000700003info:eu-repo/semantics/openAccessManfrini,Rozângela MagalhãesTeixeira,Flávia RodriguesPiló-Veloso,DorilaAlcântara,Antônio Flávio de CarvalhoNelson,David LeeSiqueira,Ezequias Pessoa deeng2012-08-16T00:00:00Zoai:scielo:S0100-40422012000700003Revistahttps://www.scielo.br/j/qn/ONGhttps://old.scielo.br/oai/scielo-oai.phpquimicanova@sbq.org.br1678-70640100-4042opendoar:2012-08-16T00:00Química Nova (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
title Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
spellingShingle Self-condensation of n-(N-propyl)butanimine: NMR and mass spectral analyses and investigation by theoretical calculation
Manfrini,Rozângela Magalhães
imine-enamine tautomerism
self-condensation of aldimines
DFT calculations
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
author Manfrini,Rozângela Magalhães
author_facet Manfrini,Rozângela Magalhães
Teixeira,Flávia Rodrigues
Piló-Veloso,Dorila
Alcântara,Antônio Flávio de Carvalho
Nelson,David Lee
Siqueira,Ezequias Pessoa de
author_role author
author2 Teixeira,Flávia Rodrigues
Piló-Veloso,Dorila
Alcântara,Antônio Flávio de Carvalho
Nelson,David Lee
Siqueira,Ezequias Pessoa de
author2_role author
author
author
author
author
dc.contributor.author.fl_str_mv Manfrini,Rozângela Magalhães
Teixeira,Flávia Rodrigues
Piló-Veloso,Dorila
Alcântara,Antônio Flávio de Carvalho
Nelson,David Lee
Siqueira,Ezequias Pessoa de
dc.subject.por.fl_str_mv imine-enamine tautomerism
self-condensation of aldimines
DFT calculations
topic imine-enamine tautomerism
self-condensation of aldimines
DFT calculations
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.
publishDate 2012
dc.date.none.fl_str_mv 2012-01-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422012000700003
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0100-40422012000700003
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Química Nova v.35 n.7 2012
reponame:Química Nova (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Química Nova (Online)
collection Química Nova (Online)
repository.name.fl_str_mv Química Nova (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv quimicanova@sbq.org.br
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