SusChEM: C-H Functionalization with Earth Abundant Metals

开发用于化学合成的新催化剂是一项关键挑战，使我们能够发现和生产我们的经济所需的新分子和材料，特别是当催化剂来自可持续的地球丰富的金属时。许多有机分子出现在药物中或作为先进材料的组成部分，具有几个碳-氢(C-H)键。这些C-H键很难断裂，也很难转化为新的不同的键，从而可以进入复杂的化学结构。在这个项目中，乔治城大学的蒂莫西·H·沃伦博士正在开发通过直接修饰这些具有挑战性的C-H键来修饰有机分子的新方法。正在进行的学术和工业合作使人们能够使用广泛的方法来发现、优化和了解这些新的化学转化。沃伦教授正在通过组织Higher Achievement与来自资源匮乏社区的低收入家庭的高危中学生建立联系。为了进一步支持这项工作的更广泛影响，他和他在乔治敦大学的研究生和本科生正在通过接待高中实习生和为来自不同Cristo Rey和KIPP网络的新兴高中高年级学生提供科学节目来接触贫困高中生。在化学系化学催化计划的资助下，乔治城大学的Timothy H.Warren博士正在设计和开发新的催化方案，以直接从碳-氢(C-H)键构建碳-氮(C-N)、碳-氧(C-O)和碳-碳(C-C)键。这些C-H官能化方法使人们能够探索通过传统合成方法不易进入的化学空间。特别是，在详细的机理研究的指导下，正在开发制备C-C键的创新方法，这些研究概述了负责C-C键形成的关键含铜中间体的化学反应活性。催化剂设计允许在存在较弱C-H键的情况下选择性地修饰较强的C-H键，从而允许控制C-H官能化区域选择性。与Tom Cundari教授(北德克萨斯大学)和Merck教授(新泽西州拉赫韦)的持续合作使反应机理的深入计算评估以及反应发现和优化的高通量筛选成为可能。通过组织Higher Achievement，沃伦教授与来自资源匮乏社区的低收入家庭的高危中学生建立了联系，并每年夏天在乔治敦大学主持一场有趣的化学表演。沃伦教授和他的团队还向贫困高中生伸出援手，每年夏天招待一名高中实习生，并在乔治敦大学为来自不同的Cristo Rey和KIPP电视网的高三学生提供为期两天的科学节目。

SusChEM: C-H Functionalization with Earth Abundant MetalsDeveloping new catalysts for chemical synthesis is a key challenge that enables the discovery and production of new molecules and materials required for our economy, especially when the catalysts are sourced from sustainable, Earth abundant metals. Many organic molecules that appear in pharmaceuticals or as components of advanced materials possess several carbon-hydrogen (C-H) bonds. These C-H bonds are very hard to break and to convert into new and different bonds that allow access to complex chemical structures. In this project, Dr. Timothy H. Warren of Georgetown University is developing new ways to modify organic molecules by direct modification of these challenging C-H bonds. Ongoing academic and industrial collaborations allow access to a broad range of methods to discover, optimize, and understand these new chemical transformations. Professor Warren is connecting with high-risk middle school students from low income families in under-resourced communities through the organization Higher Achievement. In further support of the broader impacts of this work, he and his graduate and undergraduate students at Georgetown are reaching out to underprivileged high school students by hosting high school interns and providing science programming to rising high school seniors from the diverse Cristo Rey and KIPP networks. With funding from the Chemical Catalysis Program of the Chemistry Division, Dr. Timothy H. Warren of Georgetown University is designing and developing new catalytic protocols to construct carbon-nitrogen (C-N), carbon-oxygen (C-O), and carbon-carbon (C-C) bonds directly from carbon-hydrogen (C-H) bonds. These C-H functionalization methodologies enable the exploration of chemical space not easily accessible via traditional synthetic methods. In particular, innovative approaches to prepare C-C bonds are under development, guided by detailed mechanistic studies that outline the chemical reactivity of key copper-containing intermediates responsible for C-C bond formation. Catalyst design allows for the selective modification of strong C-H bonds in the presence of weaker ones, allowing control over C-H functionalization regioselectivity. Ongoing collaborations with Prof. Tom Cundari (U. North Texas) and Merck (Rahway, NJ) are enabling in depth computational assessment of reaction mechanisms as well as high throughput screening for reaction discovery and optimization. Through the organization Higher Achievement, Professor Warren is connecting with high-risk middle school students from low income families in under-resourced communities, and is hosting a fun chemistry show held at Georgetown each summer. Professor Warren and his team are also reaching out to underprivileged high school students by hosting a high school intern each summer as well as providing two days of science programming at Georgetown to rising high school seniors from the diverse Cristo Rey and KIPP networks.