STEREOSELECTIVITIES OF THE IRELAND-CLAISEN REARRANGEMENT

胡克教授(加州大学洛杉矶分校)和Aviyente教授(土耳其伊斯坦布尔博加齐大学)就不对称Claisen重排进行建模的合作建议提交给Fogarty国际研究合作奖。题为“合成有机反应的立体选择性”的父项目的目标是开发探索和预测立体选择性有机反应的计算方法。将设计新的定量计算模型来帮助理解和设计立体选择性反应。这一结果将对开发合成对映体纯药物的新方法具有重要意义。FIRCA提案“爱尔兰-克莱森重排的立体选择性”的具体目的是通过为该反应模拟椅子与船的过渡态来分析爱尔兰-克莱森重排的立体选择性。最终目标是从理论上理解控制在产生或修饰立体中心的反应中形成哪种立体异构体的因素。

A collaboration between Prof. Houk (UCLA) and Prof. Aviyente (Bogazi, University, Istanbul, Turkey) on modeling the asymmetric Claisen rearrangement is proposed to the Fogarty International Research Collaboration Award. The goal of the parent project entitled "Steroselectivities of Synthetic Organic Reactions" is to develop computational methods to explore and predict stereoselective organic reactions. New quantitative computational models will be devised to aid in the understanding and design of stereoselective reactions. The results will be of considerable importance for the development of new methods for synthesis of enantiomerically pure pharmaceuticals. The specific aim of the FIRCA proposal entitled "Steroselectivities of the Ireland-Claisen Rearrangement" is to analyze the steroselectivity of the Ireland-Claisen rearrangement by modeling the chair versus boat transition state for this reaction. The ultimate goal is to develop a theoretical understanding of the factors that control which stereoisomer will be formed in a reaction that creates or modifies stereocenters.