A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids

Autores
Cainelli, Mauro; Ormachea, Carla; Kneeteman, Maria Nelida; Mancini, Pedro Maximo Emilio
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition reaction we have discussed the modification of the dienophile reactivity when the solvent effect is considered by adding molecules of ILs to the dienophile optimizations.
Fil: Cainelli, Mauro. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina
Fil: Ormachea, Carla. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Kneeteman, Maria Nelida. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina
Fil: Mancini, Pedro Maximo Emilio. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina
Materia
NITROFURAN
DIELS-ALDER
THEORETICAL CALCULATIONS
MECHANISM
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/69022
Acceder
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network_name_str CONICET Digital (CONICET)
spelling A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic LiquidsCainelli, MauroOrmachea, CarlaKneeteman, Maria NelidaMancini, Pedro Maximo EmilioNITROFURANDIELS-ALDERTHEORETICAL CALCULATIONSMECHANISMhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition reaction we have discussed the modification of the dienophile reactivity when the solvent effect is considered by adding molecules of ILs to the dienophile optimizations.Fil: Cainelli, Mauro. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; ArgentinaFil: Ormachea, Carla. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Kneeteman, Maria Nelida. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; ArgentinaFil: Mancini, Pedro Maximo Emilio. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; ArgentinaScienceDomain international2016-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/69022Cainelli, Mauro; Ormachea, Carla; Kneeteman, Maria Nelida; Mancini, Pedro Maximo Emilio; A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids; ScienceDomain international; International Research Journal of Pure & Applied Chemistry; 12; 2; 7-2016; 1-102231-3443CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.9734/IRJPAC/2016/27380info:eu-repo/semantics/altIdentifier/url/http://www.sciencedomain.org/index.php?/abstract/15304info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:03:46Zoai:ri.conicet.gov.ar:11336/69022instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:03:46.678CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
title A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
spellingShingle A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
Cainelli, Mauro
NITROFURAN
DIELS-ALDER
THEORETICAL CALCULATIONS
MECHANISM
title_short A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
title_full A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
title_fullStr A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
title_full_unstemmed A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
title_sort A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids
dc.creator.none.fl_str_mv Cainelli, Mauro
Ormachea, Carla
Kneeteman, Maria Nelida
Mancini, Pedro Maximo Emilio
author Cainelli, Mauro
author_facet Cainelli, Mauro
Ormachea, Carla
Kneeteman, Maria Nelida
Mancini, Pedro Maximo Emilio
author_role author
author2 Ormachea, Carla
Kneeteman, Maria Nelida
Mancini, Pedro Maximo Emilio
author2_role author
author
author
dc.subject.none.fl_str_mv NITROFURAN
DIELS-ALDER
THEORETICAL CALCULATIONS
MECHANISM
topic NITROFURAN
DIELS-ALDER
THEORETICAL CALCULATIONS
MECHANISM
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition reaction we have discussed the modification of the dienophile reactivity when the solvent effect is considered by adding molecules of ILs to the dienophile optimizations.
Fil: Cainelli, Mauro. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina
Fil: Ormachea, Carla. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Kneeteman, Maria Nelida. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina
Fil: Mancini, Pedro Maximo Emilio. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Departamento de Química. Cátedra de Química Organica; Argentina
description In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition reaction we have discussed the modification of the dienophile reactivity when the solvent effect is considered by adding molecules of ILs to the dienophile optimizations.
publishDate 2016
dc.date.none.fl_str_mv 2016-07
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/69022
Cainelli, Mauro; Ormachea, Carla; Kneeteman, Maria Nelida; Mancini, Pedro Maximo Emilio; A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids; ScienceDomain international; International Research Journal of Pure & Applied Chemistry; 12; 2; 7-2016; 1-10
2231-3443
CONICET Digital
CONICET
url http://hdl.handle.net/11336/69022
identifier_str_mv Cainelli, Mauro; Ormachea, Carla; Kneeteman, Maria Nelida; Mancini, Pedro Maximo Emilio; A Theoretical Study of the Diels-Alder Reaction between 3-nitrofuran and Different Dienes Developed in Ionic Liquids; ScienceDomain international; International Research Journal of Pure & Applied Chemistry; 12; 2; 7-2016; 1-10
2231-3443
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.9734/IRJPAC/2016/27380
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedomain.org/index.php?/abstract/15304
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv ScienceDomain international
publisher.none.fl_str_mv ScienceDomain international
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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