Descrizione del progetto
Alcheni e CO2 a favore di reazioni organocatalitiche ecocompatibili
È possibile utilizzare alcheni e CO2 per lo sviluppo di reazioni organocatalitiche asimmetriche finalizzate alla produzione ecocompatibile di elementi costitutivi clinicamente importanti, che risultano abbondanti nelle molecole farmacologiche e nei prodotti agrochimici. Questo sarà l’obiettivo del progetto SusCat, finanziato dall’UE che, seguendo un approccio interdisciplinare, combinerà teoria, esperimenti e chemioinformatica. Il progetto eseguirà analisi computazionali avanzate ed esperimenti di fisica organica per approfondire la comprensione del livello molecolare. SusCat metterà in collegamento sintesi organica, modellizzazione computazionale e studi di fisica organica, fornendo un’alternativa unica alla sintesi mediata dai metalli nociva per l’ambiente e contribuendo così alle priorità strategiche di Europa 2020 volte allo sviluppo sostenibile e all’efficienza nell’impiego delle risorse.
Obiettivo
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.
Campo scientifico
Programma(i)
Argomento(i)
Meccanismo di finanziamento
MSCA-IF-EF-ST - Standard EFCoordinatore
45470 Muelheim An Der Ruhr
Germania