LCBM & SyMMES & DCM
The development of multicomponent reactions (MCR) is the prefered eco-compatible approach to sophisticated molecules of pharmaceutical interest, such as amidines. We elaborated a new MCR to amidines which produces them in good yields under mild conditions through an Fe-catalyzed combination of a hydrocarbon, a nitrile, and a nitrene. We solved the mechanism of this reaction by developing an integrated combination of experiments and DFT calculations which provides a detailed description of all involved molecular events and an estimation of their energetic cost.
Experiments and DFT Computations Combine to Decipher Fe- Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion, G. Coin, P. Dubourdeaux, F. Avenier, R. Patra, L. Castro, C. Lebrun, P.-A. Bayle, J. Péćaut, G. Blondin, P. Maldivi, and J.-M. Latour ACS Catal., 2021, 11, 2253-2266.
PhD student funded by Arcane