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SusChEM: C-H Functionalization with Earth Abundant Metals

SusChEM：利用地球丰富的金属进行 C-H 官能化

基本信息

批准号：
1665348
负责人：
Timothy Warren
金额：
$ 45万
依托单位：
Georgetown University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2017
资助国家：
美国
起止时间：
2017-09-01 至 2020-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1665348&HistoricalAwards=false
关键词：
SusChEM Functionalization Earth Abundant Metals

项目摘要

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.

SusChEM：C-H功能化与地球丰富的金属开发新的催化剂用于化学合成是一个关键的挑战，使我们的经济所需的新分子和材料的发现和生产，特别是当催化剂来源于可持续的，地球丰富的金属。许多出现在药物中或作为先进材料组分的有机分子具有几个碳氢（C-H）键。这些C-H键很难断裂，也很难转化为新的不同的键，从而形成复杂的化学结构。在这个项目中，蒂莫西·H.乔治城大学的沃伦正在开发新的方法，通过直接修饰这些具有挑战性的C-H键来修饰有机分子。正在进行的学术和工业合作允许获得广泛的方法来发现，优化和理解这些新的化学转化。沃伦教授通过组织更高的成就与来自资源不足社区的低收入家庭的高风险中学生联系。为了进一步支持这项工作的更广泛的影响，他和他在乔治敦的研究生和本科生正在通过举办高中实习生和为来自不同的克里斯托雷伊和KIPP网络的高中毕业生提供科学编程来接触贫困高中生。在化学部化学催化项目的资助下，蒂莫西·H·乔治敦大学的沃伦正在设计和开发新的催化方案，以直接从碳氢键（C-H）构建碳-氮（C-N），碳-氧（C-O）和碳-碳（C-C）键。这些C-H官能化方法使得能够探索通过传统合成方法不易获得的化学空间。特别是，制备C-C键的创新方法正在开发中，这些方法以详细的机理研究为指导，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性。催化剂设计允许在较弱的C-H键的存在下选择性地修饰强C-H键，从而允许控制C-H官能化的区域选择性。正在进行的合作与教授汤姆Cundari（U。North Texas）和Merck（Rahway，NJ）正在实现对反应机制的深入计算评估以及用于反应发现和优化的高通量筛选。通过组织更高的成就，教授沃伦是连接来自低收入家庭的高风险中学生在资源不足的社区，并主办了有趣的化学展在乔治敦举行，每年夏天。沃伦教授和他的团队也接触到贫困高中学生主办的高中实习生每年夏天，以及在乔治敦提供两天的科学编程从不同的克里斯托雷伊和KIPP网络上升高中毕业生。