Description du projet
Des alcènes et du CO2 pour des réactions organocatalytiques écologiques
Les alcènes et le CO2 peuvent être utilisés dans des réactions organocatalytiques asymétriques pour la production écologique d’éléments structuraux importants sur le plan médical que l’on retrouve couramment dans les molécules des médicaments et les produits agrochimiques. Tel sera l’objectif du projet SusCat, financé par l’UE, qui adoptera une approche interdisciplinaire combinant théorie, expérience et chémo-informatique. Le projet réalisera une analyse informatique avancée ainsi que des expériences de chimie organique physique en vue de mieux comprendre ce qui se passe au niveau moléculaire. SusCat associera la synthèse organique, la modélisation informatique et les études de chimie organique physique, proposera une alternative unique aux méthodes de synthèse par médiation métallique nocives pour l’environnement et contribuera aux priorités de la stratégie Europe 2020 pour une croissance durable et un usage efficace des ressources.
Objectif
SusCat aims to develop asymmetric organocatalytic reactions using cheap, commonplace starting materials (alkenes and CO2) to achieve environmentally-friendly manufacturing of medicinally important building blocks, which are abundant in drug molecules and agrochemicals. An atom economical manufacturing of these value-added products will be realized avoiding the use of intrinsically toxic reagents and production of waste chemical byproducts. We will adopt an interdisciplinary approach by combining experiment, theory and cheminformatics. SusCat promises to open new vistas in organocatalytic unbiased olefin activation, a longstanding quest in organic synthesis. This approach will also pave the way for the use of CO2 as a C1 synthon under mild conditions, which will not only help to reduce the carbon footprint but also add to the understanding of how nature uses CO2 as a source of energy. Moreover, the state-of-the-art computational analysis and physical organic experiments will be performed to gain insights on the molecular level. A detailed cheminformatics-based approach will be adopted to build a predictive statistical model and understand the structure activity relationship between the catalyst and the substrate. SusCat will equip the Experienced Researcher with new knowledge and skills in theory and experimentation, thus broadening his scientific background and enhancing his prospects as an independent researcher. At the same time, the Action and the Host group will benefit from the advanced knowledge in chemical catalysis acquired by the researcher during his stay. Overall, this study will create a bridge among organic synthesis, computational modelling and physical organic studies, providing not only a unique alternative to environmentally deleterious metal-mediated synthesis, but also contributing towards achieving the Europe 2020 strategy priorities: sustainable growth and resource efficiency.
Champ scientifique
Programme(s)
Régime de financement
MSCA-IF-EF-ST - Standard EFCoordinateur
45470 Muelheim An Der Ruhr
Allemagne