Tuned Iridium Catalysts to Deliver an Array of Synthetic Efficiency and Selectivity

最近从克尔实验室建立的铱物种已经成为同位素标记化学中最活跃的物种。事实上，这种直接和灵活的标记过程现在代表了药物化学家的核心工具，通过将示踪剂快速有效地结合到候选药物中，可以在药物设计过程的早期进行各种代谢，稳定性和毒性研究。在将我们开发的催化剂应用于广泛的芳香和非芳香不饱和体系的高效标记之后，我们还对更具挑战性的底物类别的标记进行了初步研究，并在更广泛的意义上探索了我们的催化剂在C-H活化方面的使用。该计划将以Kerr最近在铱催化领域的记录为基础，通过调整配体修饰扩大可用催化剂种类的范围，并以制备有机金属化学和理论化学方法的跨学科结合为指导。在后一方面，定量DFT计算方法将允许算法的发展，这些算法将驱动基于底物结合能、必要的C-H活化过程和新兴反应动力学的新型有机反应的未来催化剂的设计。新出现的基于铱的新物种将专门设计用于有机合成中的一系列重要转变和与制药工业直接相关的应用。这些将包括进一步的标记技术，异构化过程，C-N和C-O键形成反应，以及温和和容易获得的不对称还原方法。EPSRC的主要研究领域包括：催化，化学反应动力学和机理，合成有机化学，以及在医疗保健技术，物理科学和未来制造业的主题中具有重要意义。

Recently established iridium species from the Kerr laboratories have emerged to become some of the most active species in isotopic labelling chemistry. Indeed, such direct and flexible labelling processes now represent a central tool for pharmaceutical chemists whereby the fast and efficient incorporation of a tracer into drug candidates enables various metabolic, stability, and toxicity studies to be performed earlier in the drug design process. Having applied our developed catalysts to enable the highly efficient labelling of a broad range of both aromatic and non-aromatic unsaturated systems, we have also initiated preliminary investigations into the labelling of more challenging substrate classes as well as probed the use of our catalysts for C-H activation in a wider sense.This programme will build on Kerr's recent track record in the area of iridium catalysis by expanding the range of available catalyst species through tuned ligand modification, informed and guided by the interdisciplinary combination of preparative organometallic chemistry and theoretical chemistry methods. In this latter regard, quantitative DFT computational methods will allow the development of algorithms that will drive the design of future catalysts for new organic reactions based on substrate binding energies, the requisite C-H activation processes, and emerging reaction kinetics. The emerging new iridium-based species will be specifically designed for application in a portfolio of important transformations in organic synthesis and of direct relevance to the pharmaceutical industry. These will include further labelling techniques, isomerisation processes, C-N and C-O bond forming reactions, and mild and accessible asymmetric reduction methods. The main EPSRC Research Areas addressed are: Catalysis, Chemical Reaction Dynamics and Mechanism, and Synthetic Organic Chemistry and as of importance within the Themes of Healthcare Technologies, Physical Sciences, and Manufacturing the Future.