Catalysts Designed for Asymmetric Organic Reactions

描述（由申请人提供）：本研究项目的主要目标是发现用于有机合成的新的催化不对称转化。正在研究的合成反应包括Claisen重排、Diels-Alder反应、Friedel-Crafts反应和硝基-曼尼希反应。为了实现这些目标，将实施合理的设计和组合方法。设计工具包括QSSR建模，以加速手性配体筛选和识别重要的配体特征。过渡结构计算将结合功能映射和数据库搜索来开发新的氢键催化剂。

DESCRIPTION (provided by applicant): The principal goals of this research program entail the discovery of new catalytic asymmetric transformations for organic synthesis. Synthetic reactions under investigation include Claisen rearrangements, Diels-Alder reactions, Friedel-Crafts reactions, and nitro-Mannich reactions. To achieve these goals, rational design and combinatorial approaches will be implemented. Design tools include QSSR modeling to accelerate chiral ligand screening and identify important ligand features. Transition structure calculations will be combined with functionality mapping and database searching to develop new hydrogen bonding catalysts. PUBLIC HEALTH RELEVANCE: New reaction methods and new asymmetric methods will be developed. The resultant technologies will be broadly useful in other contexts thereby facilitating the discovery and generation of new pharmaceutical agents.