Descripción del proyecto
Reacciones organocatalíticas ecológicas con alquenos y dióxido de carbono
Los alquenos y el dióxido de carbono pueden emplearse en reacciones organocatalíticas asimétricas para la fabricación ecológica de componentes básicos de importancia médica, que abunda en moléculas farmacéuticas y productos agroquímicos. Este es el objetivo del proyecto SusCat, financiado con fondos europeos, en el que se empleará un método interdisciplinario que combina teoría, experimentación y quimioinformática. Además, se llevarán a cabo análisis computacionales avanzados y experimentos orgánicos físicos para aumentar la comprensión a nivel molecular. El equipo de SusCat combinará la síntesis orgánica, la modelización informática y los estudios orgánicos físicos, lo que proporcionará una alternativa única a la síntesis mediada por metales, que es perjudicial para el medio ambiente, y contribuirá a las prioridades de la Estrategia Europa 2020 para el crecimiento sostenible y la eficiencia en el consumo de recursos.
Objetivo
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.
Ámbito científico
Programa(s)
Régimen de financiación
MSCA-IF-EF-ST - Standard EFCoordinador
45470 Muelheim An Der Ruhr
Alemania