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Title: From Simple Alkenes and CO2 to Fluorinated Carboxylic Acids: Computational Studies and Predictions
Author: Echeverría, Jorge
Jover Modrego, Jesús
Keywords: Teoria del funcional de densitat
Àcids carboxílics
Density functionals
Carboxylic acids
Issue Date: 17-Jan-2022
Publisher: Wiley-VCH
Abstract: 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.
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It is part of: European Journal of Organic Chemistry, 2022, vol. 2022, num. 2
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ISSN: 1434-193X
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)
Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB))

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