From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions

Fluorinated carboxylic acids may soon become a relevant class of compounds for new materials development and as synthons in medicinal chemistry. In this report, a potential method based on a hydroboration/copper-catalyzed carboxylation reaction sequence has been computationally explored to check whe...

Descripción completa

Detalles Bibliográficos
Autores: Echeverría, Jorge, Jover Modrego, Jesús
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2022
País:España
Institución:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
Repositorio:Recercat. Dipósit de la Recerca de Catalunya
OAI Identifier:oai:recercat.cat:2445/185132
Acceso en línea:https://hdl.handle.net/2445/185132
Access Level:acceso abierto
Palabra clave:Teoria del funcional de densitat
Alquens
Àcids carboxílics
Density functionals
Alkenes
Carboxylic acids
id ES_f50d0df5b2384a92ef740f2db4d5e64f
oai_identifier_str oai:recercat.cat:2445/185132
network_acronym_str ES
network_name_str España
repository_id_str
spelling From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and PredictionsEcheverría, JorgeJover Modrego, JesúsTeoria del funcional de densitatAlquensÀcids carboxílicsDensity functionalsAlkenesCarboxylic acidsFluorinated carboxylic acids may soon become a relevant class of compounds for new materials development and as synthons in medicinal chemistry. In this report, a potential method based on a hydroboration/copper-catalyzed carboxylation reaction sequence has been computationally explored to check whether these moieties could be synthetically accessible. DFT calculations fully support the possibility of obtaining fluorinated carboxylic acids from simple fluorinated alkenes and gaseous carbon dioxide, paving the way to future preparation of this class of chemicals.Wiley-VCH2022202220222022info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/185132Articles publicats en revistes (Química Inorgànica i Orgànica)reponame:Recercat. Dipósit de la Recerca de Catalunyainstname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)InglésReproducció del document publicat a: https://doi.org/10.1002/ejoc.202101243European Journal of Organic Chemistry, 2022, vol. 2022, num. 2https://doi.org/10.1002/ejoc.202101243(c) Echeverría, Jorge, et al., 2022info:eu-repo/semantics/openAccessoai:recercat.cat:2445/1851322026-05-29T05:05:01Z
dc.title.none.fl_str_mv From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
title From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
spellingShingle From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
Echeverría, Jorge
Teoria del funcional de densitat
Alquens
Àcids carboxílics
Density functionals
Alkenes
Carboxylic acids
title_short From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
title_full From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
title_fullStr From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
title_full_unstemmed From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
title_sort From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
dc.creator.none.fl_str_mv Echeverría, Jorge
Jover Modrego, Jesús
author Echeverría, Jorge
author_facet Echeverría, Jorge
Jover Modrego, Jesús
author_role author
author2 Jover Modrego, Jesús
author2_role author
dc.subject.none.fl_str_mv Teoria del funcional de densitat
Alquens
Àcids carboxílics
Density functionals
Alkenes
Carboxylic acids
topic Teoria del funcional de densitat
Alquens
Àcids carboxílics
Density functionals
Alkenes
Carboxylic acids
description Fluorinated carboxylic acids may soon become a relevant class of compounds for new materials development and as synthons in medicinal chemistry. In this report, a potential method based on a hydroboration/copper-catalyzed carboxylation reaction sequence has been computationally explored to check whether these moieties could be synthetically accessible. DFT calculations fully support the possibility of obtaining fluorinated carboxylic acids from simple fluorinated alkenes and gaseous carbon dioxide, paving the way to future preparation of this class of chemicals.
publishDate 2022
dc.date.none.fl_str_mv 2022
2022
2022
2022
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/185132
url https://hdl.handle.net/2445/185132
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1002/ejoc.202101243
European Journal of Organic Chemistry, 2022, vol. 2022, num. 2
https://doi.org/10.1002/ejoc.202101243
dc.rights.none.fl_str_mv (c) Echeverría, Jorge, et al., 2022
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Echeverría, Jorge, et al., 2022
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Wiley-VCH
publisher.none.fl_str_mv Wiley-VCH
dc.source.none.fl_str_mv Articles publicats en revistes (Química Inorgànica i Orgànica)
reponame:Recercat. Dipósit de la Recerca de Catalunya
instname:Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
instname_str Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)
reponame_str Recercat. Dipósit de la Recerca de Catalunya
collection Recercat. Dipósit de la Recerca de Catalunya
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869424528179855360
score 15.812429

Similares en LA Referencia