|
Retrosynthetic analysis is a technique for solving problems in the planning of organic syntheses. This is achieved by transforming a target molecule into simpler precursor structures without assumptions regarding starting materials. Each precursor material is examined using the same method. This procedure is repeated until simple or commercially available structures are reached. E.J. Corey formalized this concept in his book ''The Logic of Chemical Synthesis''.〔 〕 The power of retrosynthetic analysis becomes evident in the design of a synthesis. The goal of retrosynthetic analysis is structural simplification. Often, a synthesis will have more than one possible synthetic route. Retrosynthesis is well suited for discovering different synthetic routes and comparing them in a logical and straightfoward fashion.〔James Law et.al:"Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation", Journal of Chemical Information and Modelling (ACS JCIM) Publication Date (Web): February 6, 2009; , http://pubs.acs.org/doi/abs/10.1021/ci800228y〕 A database may be consulted at each stage of the analysis, to determine whether a component already exists in the literature. In that case, no further exploration of that compound would be required. ==Definitions== ;Disconnection: A retrosynthetic step involving the breaking of a bond to form two (or more) synthons. ;Retron: A minimal molecular substructure that enables certain transformations. ;Retrosynthetic tree: A directed acyclic graph of several (or all) possible retrosyntheses of a single target. ;Synthon: An idealized molecular fragment. A synthon and the corresponding commercially available synthetic equivalent are shown below: ;Target: The desired final compound. ;Transform: The reverse of a synthetic reaction; the formation of starting materials from a single product. 抄文引用元・出典: フリー百科事典『 ウィキペディア(Wikipedia)』 ■ウィキペディアで「retrosynthetic analysis」の詳細全文を読む スポンサード リンク
|