The thrust to adopt sustainable greener technologies in chemical and pharmaceutical process industries has been growing since last two decades due to the intense usage of volatile organic solvents from synthesis to purification stages. Hence, the objective of the present study is to analyze the feasibility of replacement of the organic solvent used in the purification of an active pharmaceutical ingredient (API) in a pharmaceutical context. From this perspective, the crystallization of an API-ibuprofen using ethyl lactate as an alternate green solvent is explored for the first time in the present study. Ethyl lactate belongs to the family of lactate esters, which is 100% biodegradable in nature. The feasibility of crystallization of ibuprofen is analyzed and a methodology is developed to crystallize the same. In addition, the kinetic parameters for the unseeded batch cooling crystallization of ibuprofen grown in 50% aqueous ethyl lactate have been estimated. A model of the crystallizer is constructed based on first-principles and a nonlinear optimization based methodology is used for extracting the kinetics. The results show that ibuprofen can be crystallized from aqueous ethyl lactate and the kinetic parameters are reported for the region where the system does not pass through two phase separation.

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使用乳酸乙酯作为绿色溶剂的活性药物化合物的结晶和动力学研究

自从过去的二十年以来，由于从合成到纯化阶段的挥发性有机溶剂的大量使用，在化学和制药工艺行业中采用可持续的绿色技术的趋势一直在增长。因此，本研究的目的是分析在医药领域中替代用于纯化活性药物成分（API）的有机溶剂的可行性。从这个角度出发，本研究首次探索了使用乳酸乙酯作为替代绿色溶剂的API-布洛芬的结晶。乳酸乙酯属于乳酸酯家族，其本质上是100％可生物降解的。分析了布洛芬结晶的可行性，并开发了使布洛芬结晶的方法。此外，估计了在50％乳酸乙酯水溶液中生长的布洛芬非种子分批冷却结晶的动力学参数。基于第一原理构造结晶器的模型，并使用基于非线性优化的方法来提取动力学。结果表明，布洛芬可以从含水乳酸乙酯中结晶，并且报告了动力学参数，该动力学参数用于系统未通过两相分离的区域。