역합성분석

역합성분석(Retrosynthetic analysis)은 유기 합성 계획에서 문제를 해결하기 위한 기술이다. 이는 시약과의 잠재적인 반응성/상호작용에 관계없이 대상 분자를 더 간단한 전구체 구조로 변환함으로써 달성된다. 동일한 방법을 사용하여 각 전구체 재료를 검사한다. 이 절차는 단순하거나 상업적으로 이용 가능한 구조에 도달할 때까지 반복된다. 이러한 더 간단하고 상업적으로 이용 가능한 화합물은 표적 분자의 합성을 형성하는 데 사용될 수 있다. E.J. 코리는 자신의 저서 화학합성의 논리(The Logic of Chemical Synthesis)에서 이 개념을 공식화했다.[1][2][3]

역합성분석의 힘은 합성 설계에서 분명해진다. 역합성 분석의 목표는 구조를 단순화하는 것이다. 종종 합성에는 하나 이상의 가능한 합성 경로가 있다. 역합성은 다양한 합성 경로를 발견하고 이를 논리적이고 간단한 방식으로 비교하는 데 매우 적합하다.[4] 구성 요소가 이미 문헌에 존재하는지 여부를 결정하기 위해 분석의 각 단계에서 데이터베이스를 참조할 수 있다. 이 경우 해당 화합물에 대한 추가 탐색이 필요하지 않는다. 해당 화합물이 존재하는 경우 합성에 도달하기 위해 개발된 추가 단계의 출발점이 될 수 있다.

같이 보기

각주

  1. ↑ E. J. Corey, X-M. Cheng (1995). 《The Logic of Chemical Synthesis》. New York: Wiley. ISBN 978-0-471-11594-6. 
  2. ↑ E. J. Corey (1988). “Retrosynthetic Thinking – Essentials and Examples”. 《Chem. Soc. Rev.》 17: 111–133. doi:10.1039/CS9881700111. 
  3. ↑ E. J. Corey (1991). “The Logic of Chemical Synthesis: Multistep Synthesis of Complex Carbogenic Molecules (Nobel Lecture)” (Reprint). 《Angewandte Chemie International Edition in English》 30 (5): 455–465. doi:10.1002/anie.199104553. 
  4. ↑ 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; doi:10.1021/ci800228y, http://pubs.acs.org/doi/abs/10.1021/ci800228y

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