Tailored Solvents for Pollution Source Reduction in Phamaceutical & Fine Chemical Processing

CTS-9729404 Hatton，T.A.麻省理工学院摘要建议开发一类新的溶剂，其溶剂化性质类似于制药和精细化工过程中传统使用的溶剂，但其因对环境不利的空气排放或在含水排放气流中损失的可能性最小。将对新溶剂进行完整的表征，并将评估它们在最大限度地减少污染可能性以及减少特定工艺所需的溶剂交换和装置操作数量方面的作用。经济和环境影响评估将包括溶剂使用的所有方面，包括其合成和由此可能产生的任何废物。这些新的溶剂将通过将被取代的溶剂四氢呋喃(THF)进行适当的衍生化来获得，以使其显著减少挥发性或水溶性，从而减少进入环境的倾向；活性溶剂部分还将通过附着到柔性聚合物上而被固定，然后将其溶解在更良性的连续相中。这些新溶剂将作为一系列模型反应系统的反应介质进行测试，包括在生产HIV蛋白酶抑制剂Crixivan中非常重要的一系列反应。详细的光谱表征以及整体热力学性质将被用来根据溶剂修饰引入的空间和电子效应来合理解释动力学结果。将进行工艺系统建模，以量化使用这些溶剂的工艺的经济和环境影响，并与传统系统进行比较。将开发一系列新的溶剂，并从溶剂化、热力学和传输性质方面对其进行表征，并使用一系列不同的模型反应来测试它们作为反应介质的有效性。将制定产品回收和溶剂再生的指导方针，并开发工艺系统模型，以优化药物和精细化工合成中的反应/分离序列。将对这些新溶剂从合成到在加工中使用(包括溶剂再生)的生命周期进行分析，以描述其有用的应用参数。

CTS-9729404 Hatton, T.A. MIT Abstract It is proposed to develop a new class of solvents that have solvation properties similar to those of solvents used conventionally in pharmaceutical and fine chemical processing but for which the potential for loss by environmentally-unfavorable air emissions or in aqueous discharge streams is minimized. A complete characterization of the new solvent is to be undertaken, and their role in minimizing the potential for pollution, and in reducing the number of solvent exchanges and unit operations required for specific processes will be evaluated. The economic and environmental impact assessment will include al aspects of the solvent usage, including its synthesis and any wastes that may be generated thereby. These new solvents will be obtained by suitable derivatization of the solvent tetrahydrofuran (THF) to be replaced to render it significantly less volatile or water soluble, and thus less inclined to enter the environment; the active solvent moiety will also be 'immobilized' by attachment to flexible polymers, which are then dissolved in a more benign continuous phase. These new solvents will be tested as reaction media for a broad range of model reaction systems, including a series of reactions that are important in the production of the HIV protease inhibitor Crixivan Detailed spectroscopic characterization as well as bulk thermodynamic properties will be used to rationalize the kinetics results in terms of steric and electronic effects introduced by the solvent modification. Process systems modeling will be carried out to quantify the economic and environmental impact of processes using these solvents, and compared with conventional systems. A new range of solvents will be developed and characterized in terms of their solvation, thermodynamic and transport properties, and tested for their efficacy as reaction media using a range of different model reactions. Guidelines will be established for product recovery and solvent regeneration, and process systems models will be developed for optimization of reaction/separation sequences in pharmaceutical and fine chemical syntheses. A life cycle analysis of these new solvents from synthesis through to use in processing, including solvent regeneration, will be made to delineate their useful application parameters.