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功能通过地球丰富的金属开发用于化学合成的新催化剂是一个关键挑战，它可以发现和生产我们经济所需的新分子和材料，尤其是当催化剂来自可持续的地球丰富金属时。出现在药品中或作为晚期材料组成部分的许多有机分子具有多种碳 - 氢（C-H）键。这些C-H键很难断裂，并转化为新的和不同的键，可以进入复杂的化学结构。在这个项目中，乔治敦大学的蒂莫西·H·沃伦（Timothy H. Warren）博士正在通过直接修改这些具有挑战性的C-H债券来开发新的方法来修饰有机分子。正在进行的学术和工业合作允许访问广泛的方法来发现，优化和理解这些新的化学转化。沃伦教授正在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影响，他和他的毕业生和本科生乔治敦（Georgetown）正在通过主持高中实习生并提供科学节目来促进来自多元化的Cristo Rey和Kipp Networks的高中生。借助化学部化学催化计划的资助，乔治敦大学的蒂莫西·H·沃伦（Timothy H. Warren）博士正在设计和开发新的催化方案，以构建直接来自碳氧化碳（C-H）键的碳氮（C-N），碳氧（C-C-O）和碳氧（C-C）键。这些C-H功能化方法可以使化学空间不容易通过传统的合成方法访问。特别是，制备C-C键的创新方法正在开发中，在详细的机理研究的指导下，概述了负责C-C键形成的关键含铜中间体的化学反应性。催化剂设计允许在存在较弱的C-H键的情况下选择性修改强C-H键，从而控制C-H功能化区域选择性。与汤姆·康达里（Tom Cundari）教授（美国北德克萨斯州）和默克（NJ Rahway）进行的持续合作正在深入地计算反应机制的计算评估，以及高吞吐量筛选，以进行反应发现和优化。通过该组织更高的成就，沃伦教授正在与来自资源不足社区低收入家庭的高风险中学学生联系，并每年夏天在乔治敦举行一场有趣的化学表演。沃伦教授和他的团队还通过每年夏天举办一名高中实习生，并在乔治敦（Georgetown）提供两天的科学节目，从而从多元化的Cristo Rey和Kipp Networks升起高中生。