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PhD project from 2024

Small-scale, semi-automated synthesis development for virtual chemicals

The number of available methods for a chemical synthesis is high, as chemists now have access to various solvent systems, additives and catalysts. Traditional synthetic approaches mainly rely on multiple validation and optimization steps. Combinatorial libraries nowadays reach a multi-billion size, and when even a few hundred molecules are selected for synthesis, it is possible that each reaction will use different reactants. Therefore, there is a need for a limited number of generalized protocols, especially for the emerging automated synthesis approaches. Such setups have the adavantage of performing certain tasks with limited human operation, while also provide a great amount of standardized synthetic data. The project focuses on identifying synthetic setups that provide sufficient selectivity and versatility for the most commonly applied organic synthetic reactions for small scale synthesis. In addition, the project includes the development of a database model, capable of storing the synthetic data that is collected in such systems in the appropriate structure and depth, facilitating the development of efficient synthesis methods in virtual molecules development. An industrial partner will be involved in the project.