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 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.

Automated summary

The report explores a potential method based on a hydroboration/copper-catalyzed carboxylation reaction sequence to synthetically access fluorinated carboxylic acids. DFT calculations support the possibility of obtaining these compounds from simple fluorinated alkenes and gaseous carbon dioxide. This paves the way for the future preparation of this class of chemicals.