NSF Center for Selective CH Functionalization

在美国国家科学基金会化学部化学创新中心（CCI）项目的支持下，选择性碳氢（C-H）功能化中心（CCHF）将协调和支持一个高度协作的研究团队，推进新的合成化学方法和方法。几乎所有的碳基有机分子都含有几个碳氢键。CCHF的研究人员正在设计能够促进特定C-H键反应的先进催化剂。这使得以流线型和可持续的方式制造分子的新方法成为可能。这些新方法将对现代医学和制造业产生影响，包括药物发现和材料科学。CCHF将通过在线研讨会和传统会议与全球大大小小的大学和公司的科学家建立联系。CCHF将提供教材，以促进将碳氢功能化纳入课程，并与公众参与广泛的活动，包括美国各地的大型公共科学节。CCHF的目标是通过开发碳氢化合物功能化的化学物质来彻底改变有机合成。虽然有机分子中C-H键的普遍存在是CCHF方法的一个关键优势，但键能的相似性使得选择性产物形成成为一个具有挑战性和刺激性的问题。迄今为止，最有效的策略依赖于底物固有的性质，或者通过空间和电子偏置，或者通过试剂螯合和特定碳氢键的方向。展望未来，CCHF还将通过复杂的反应设计探索催化剂的选择性控制。这些努力将集中于三种策略来传授选择；1)催化剂控制的位点选择：使用具有能够控制底物轨迹的配体框架的小分子催化剂来选择性地形成单一产物；2)底物配位辅助的位点选择：设计一套催化剂和配体，可以在底物周围弱组装并将试剂传递到特定的C-H键上；3)生物激发的催化剂位点选择：使用和重新利用酶来选择性地功能化扩大范围的底物。该中心将展示这些独特策略在天然产物合成、药物发现和制备、有机材料创造和农用化学品制备方面的力量。沉浸在像CCHF这样的协作环境中，将为中心成员提供一个很好的论坛，为未来参与跨学科团队科学做好准备，中心将提供编程来增强这种体验。CCHF还将教育更广泛的科学界如何最好地部署碳氢化合物功能化战略和战术，通过诸如碳氢化合物功能化虚拟前沿虚拟专题讨论会和有机教学电子网络（OPEN）等活动来解决综合问题，该网络分发与碳氢化合物功能化相关的教育材料。CCHF致力于积极扩大参与，提供诸如化学研究多样性网络（NDCR）等项目。NDCR的主要目标是通过提供与CCHF科学家进行研究和交流的机会，为教师的早期职业生涯提供帮助。

With support from the Center for Chemical Innovation (CCI) Program in the Division of Chemistry at NSF, the Center for Selective Carbon-Hydrogen (C-H) Functionalization (CCHF) will coordinate and support a highly collaborative research team advancing new synthetic chemistry methodologies and approaches. Almost all carbon-based organic molecules contain several C-H bonds. CCHF researchers are designing advanced catalysts that can promote reaction at specific C-H bonds. This enables new approaches to making molecules in a streamlined and sustainable way. These new approaches will have impact on modern medicine and manufacturing, including drug discovery and materials science. CCHF will connect to scientists in colleges and companies, large and small, across the globe, through online symposia as well as traditional conferences. CCHF will contribute teaching materials to facilitate the inclusion of C-H functionalization into curricula and engage with the public in a broad range of activities, including large public science festivals, across the United States. The goal of the CCHF is to revolutionize organic synthesis by developing chemistries for C-H Functionalization. While the ubiquity of C-H bonds in organic molecules is a key advantage in the CCHF approach, the similarity in bond energy makes selective product formation a challenging and stimulating problem. To date, the most effective strategies have relied on properties inherent to the substrate, either through steric and electronic bias, or through reagent-chelation and direction to specific C-H bonds. Moving forward, the CCHF will also explore catalyst control of selectivity through sophisticated reaction design. These efforts will be focused on three strategies to impart selection; 1) catalyst-controlled site selection: employing small molecule catalysts with ligand frameworks capable of controlling substrate trajectories to selectively form single products, 2) substrate coordination assisted site selection: designing a suite of catalysts and ligands that can weakly assemble around a substrate and deliver reagents to specific C-H bonds, 3) bio-inspired catalyst site selection: employing and repurposing enzymes to selectively functionalize an expanded scope of substrates. The Center will demonstrate the power of these distinct strategies in the context of natural products synthesis, drug discovery and preparation, creation of organic materials, and the preparation of agrochemicals. Immersion in a collaborative environment such as the CCHF will provide an excellent forum to prepare Center members for future participation in interdisciplinary team science, and the Center will deliver programming to enhance this experience. CCHF will also educate the broader scientific community on how to best deploy C-H functionalization strategies and tactics to solve synthetic problems via activities such as the Virtual Frontiers of C-H Functionalization virtual symposia and the Organic Pedagogical Electronic Network (OPEN) which distributes educational materials related to C-H functionalization. The CCHF is committed to be actively engaged in broadening participation, offering programs such as the Network for Diversity in Chemical Research (NDCR). The primary goal of the NDCR is to assist faculty in their early career by offering research and networking opportunities with CCHF scientists.