Description du sujet de thèse

Mechanochemistry and flow chemistry have been recognized in 2019 by the International Union of Pure and Applied Chemistry (IUPAC) as two of the emerging technologies that could contribute to the sustainable development of our planet by reducing the carbon footprint [1]. By merging the two fields, reactive extrusion, also known as flow mechanochemistry, provides a continuous and sustainable approach to synthesis, mainly by drastically reducing the amount of solvent used. Applications in the field of organic synthesis have so far been limited to a few examples [2], including some developed in our team [3]. The FlowRex project will aim to develop innovative solutions for establishing an amide bond, present in many molecules of interest, by combining mechanochemistry and reactive extrusion with other activation methods (catalysis, photocatalysis). This will also involve the necessary new developments, both in reactive extrusion technology and in an optimization approach based on machine learning. Preliminary work in a ball mill will also be carried out. With these tools in hand, target molecules such as active pharmaceutical ingredients (APIs) will be synthesized.

1. Gomolloń-Bel, F. Chem. Int. 2019, 41, 12−17.
2. Bolt, R. R. A.; Leitch, J. A.; Jones, A. C.; Nicholson, W. I.; Browne, D. L. Chem. Soc. Rev. 2022, 51, 4243-4260
3. a. Yeboue, Y.; Gallard, B.; Le Moigne, N.; Jean, M.; Lamaty, F.; Martinez, J.; Métro, T.-X. ACS Sustain. Chem. Eng. 2018, 6, 16001 b. Lavayssiere, M.; Lamaty, F. Chem. Commun. 2023, 59, 3439 c. Mohy El-Dine, T.; Lavayssiere, M.; Adihou, H.; Subra, G.; Métro, T.-X.; Ludemann-Hombourger, O.; Lamaty, F. ChemistryEurope 2024, 2, e202400007. d. Lavayssiere, M.; Bantreil, X.; Lamaty, F. ChemRxiv 2025, 10.26434/chemrxiv-22025-zgpnz.

Doctoral work:
-Bibliographical study.
-Exploration and optimization of reaction conditions in a ball mill and extruder. Synthesis and characterization of organic molecules.
-Design and manufacture of prototypes.
-Implementation of a machine learning approach (Bayesian algorithm).

Profile: Graduate of an engineering school or Master 2 in chemistry with good knowledge and skills in organic chemistry, with strong interest/skills in mechanics, electronics, computer-aided design (CAD) and prototyping, programming/machine learning skills.

Contexte de travail

The thesis will be carried out at the Institut des Biomolécules Max Mousseron (https://ibmm.umontpellier.fr) located in the new Balard building on the CNRS Montpellier campus. The Green Chemistry and Innovative Technologies team (https://greenchem.cnrs.fr/) is recognized for its activities in organic synthesis using eco-compatible chemistry approaches, in particular mechanochemistry, with the equipment required for the project and access to the PAC Balard analysis and characterization platform (UAR 2041).

Le poste se situe dans un secteur relevant de la protection du potentiel scientifique et technique (PPST), et nécessite donc, conformément à la réglementation, que votre arrivée soit autorisée par l'autorité compétente du MESR.

Contraintes et risques

Constraints and risks associated with conventional organic chemistry research.