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天然产物2,5-二甲基-4-羟基-3(2H)-呋喃酮在香料工业中占有重要地位。今采用作者提出的化学反应路径选择因子对呋喃酮的合成方法进行计算比较,确定了以丙酮醛为原料,通过偶联反应合成中间体苏式3,4-二羟基-2,5-己二酮,再由成环反应制备产物呋喃酮的合成路线。考察了各个因素对偶联反应、成环反应的影响,得出较为合适的条件。并针对文献中呋喃酮分离条件苛刻、难工业化的缺点,摸索得到了较简便的呋喃酮的分离提纯方法,有利于实现呋喃酮的工业化生产。 相似文献
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In the preliminary stage of chemical process design, the choice of chemical reaction route is the key design decision, and the concepts of atom utilization and environmental quotient have become extremely useful tools. However, the waste quality such as chemical toxicity and other engineering factors have not been taken into account. Therefore, a synthetic route selection index, IRoute is proposed to determine the suitability of a chemical route in this paper. IRoute considers the effects of "extended atom economy", material renewability, chemical characteristics and some engineering factors. The extended atom economy concept regards not only the value of the desired product but also the value of byproducts. The methodology by using IRoute to compare different routes is illustrated in case study of cyclohexanone oxime and acrylonitrile manufacture. 相似文献
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In the preliminary stage of chemical process design, the choice of chemical reaction route is the key design decision, and the concepts of atom utilization and environmental quotient have become extremely useful tools. However, the waste quality such as chemical toxicity and other engineering factors have not been taken into account. Therefore, a synthetic route selection index, /Route, is proposed to determine the suitability of a chemical route in this paper. /Route considers the effects of “extended atom economy”, material renewability, chemical characteristics and some engineering factors. The extended atom economy concept regards not only the value of the desired product but also the value of byproducts. The methodology by using IRoute to compare different routes is illustrated in case study of cyclohexanone oxime and acrylonitrile manufacture. 相似文献
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