Address two issues with one reaction

Electricity that allows the addition of CO2 to heterocyclic aromatic compounds.Credit: Takeshi Mita

A new way to use electricity to offer the potential to recycle CO2 It also produces compounds that may be useful in drug development while performing the infamous and difficult reactions.

Scientists at the Institute for Chemical Reaction Design and Discovery (ICReDD), Hokkaido University, have developed methods that may be useful for recycling waste CO.2 At the same time, it produces molecules that are useful in drug development.

In addition to the ever more important demand for carbon neutrality, chemists are increasingly interested in using it. carbon dioxide (CO2) In synthesis because it is abundant, inexpensive, relatively non-toxic and renewable.However, the reactivity of CO2 It’s relatively low. To overcome this, the team led by Professor Takeshi Mita used an electrochemical method to add an electron to one of the COs.2 It makes it much easier for them to react with each other against molecules or other molecules in solution.

Since CO, this work marks a particularly big breakthrough2 Used to perform previously difficult types of conversions with unprecedented efficiency. When certain conditions are met, electrons are shared by so-called aromatic systems among many atoms in the molecule. These systems are particularly stable and difficult to destroy, but the new method developed at ICReDD allows the addition of CO to dearomaticize or destroy these stable aromatic systems. increase.2 To the molecule with the help of electricity.This process has the potential for both CO recycling2 It also creates high added value. Dicarboxylic acid From a simple starting material, solve two problems at the same time.


(Left) General process of heteroaromatic compounds undergoing dearomatic dicarboxylation by CO2.. (Right) Electrochemical carboxylation reaction setting. Credits: Yong You, et al. , Journal of the American Chemical SocietyFebruary 21, 2022

Prior to the actual experiment, ICReDD scientists screened for various heteroaromatics. Compound By calculating the reduction potential, which is a measure of how a compound reacts when exposed to the electrical environment. This result allowed researchers to identify potentially reactive compounds and conduct targeted electrochemical experiments. They show that a wide variety of substrates with very negative reduction potentials can be very efficiently subjected to the dearomatic addition of these two unprecedented COs.2molecule..The resulting dicarboxylic acid can be easily and cost-effectively transformed into an important intermediate of the biologically active compound, which may be more efficient and economical. Drug development.. The researchers involved in this study attributed the rapid development of this new process to their strategy of first performing computational analysis that informs the choice of experiments in the lab.

“When I joined ICReDD, I started learning computational chemistry. Within a year, I had access to advanced computational techniques, which was very helpful in guiding my laboratory decisions. “The lead author, Dr. Yong You, said. “It took only eight months to complete the study and publish the paper. This is much faster than a traditional project with experiments. Computers can use the structure of reactants and possible reaction pathways. You can save a lot of research time by being able to predict the feasibility with certainty. ” Takeshi Mita who led this project.

New computer-aided chemical synthesis method saves research time and cost

For more information:
Yong You et al, electrochemical dearomatic dicarboxylation of heterocycles with a very negative reduction potential, Journal of the American Chemical Society (2022). DOI: 10.1021 / jacs.1c13032

Quote: CO2 Recycling and Efficient Drug Development: Addressing Two Issues with One Reaction (February 22, 2022) February 22, 2022 -Get from coefficient-drug-tackling.html

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Address two issues with one reaction

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