Computer-Assisted Optimization of Selection of Synthetic Condition(Ⅰ)——Azodrin (Pesticides) Synthesis

Chem. J. Chinese Universities ›› 1992, Vol. 13 ›› Issue (12): 1539.

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Computer-Assisted Optimization of Selection of Synthetic Condition(Ⅰ)——Azodrin (Pesticides) Synthesis

WANG Qin-Sun¹, SHAO Rui-Lian¹, YAN Bing-Wen¹, HAN Xian-Zheng², LI Hong²

1. Institute of Elemento-Organic Chemistry, Nankai University, Tianjin, 300071;
2. Qingdao Pesticide Factory, Qingdao, 266021

Received:1992-01-11 Revised:1992-09-04 Online:1992-12-24 Published:1992-12-24

Abstract

Abstract: A computer-assisted method is presented for optimization of selection of reaction condition(Reactant concentration,molecular ratio and treatment time)in organic synthesis.The optimization method is based on a polynomial estimated from fifteen preliminary runs.This is followed by a computer scanning technique.The yield and content of product is used as the criterion.The validity of the optimization strategy is proved by applying to the technical Azodrin synthesis.Good agreement is ob-tained between the predicted and experimental results.

Key words: Computer, Optimization of reaction condition, Azodrin

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WANG Qin-Sun, SHAO Rui-Lian, YAN Bing-Wen, HAN Xian-Zheng, LI Hong. Computer-Assisted Optimization of Selection of Synthetic Condition(Ⅰ)——Azodrin (Pesticides) Synthesis[J]. Chem. J. Chinese Universities, 1992, 13(12): 1539.

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Computer-Assisted Optimization of Selection of Synthetic Condition(Ⅰ)——Azodrin (Pesticides) Synthesis

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