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APPROACH FOR THE DEVELOPMENT OF A MORE EFFICIENT AND SAFER PROCESS IN THE PHARMACEUTICAL INDUSTRY

机译：制定制药行业更有效和更安全的过程的发展方法

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Risks are present in chemical reactions due to the properties of the chemicals and the potentially hazardous situations that can be developed under abnormal conditions. These reactions are employed in industrial processes, but a need exists to improve technologies and find alternatives that lead to safer operations. The catalytic N-oxidation of alkylpyridines using hydrogen peroxide as an oxidizing agent is such a process in need of improvement. The N-oxidation reaction is widely used in the pharmaceutical industry; however, a safety issue must be addressed in this process: the very condition-sensitive, undesired decomposition of hydrogen peroxide, which produces oxygen and water. The hazards are related to the generation of oxygen, since it can cause the reaction vessel to over-pressurize and lead to serious explosions and fires when combined with the flammable alkylpyridines. Previous experimental studies on this reaction exist, but the separation of phases in the reaction mixture has hindered the description of the kinetic model that represents the reaction and helps in the prediction of runaway scenarios. In order to overcome the operating limitations and hazardous conditions, a methodology is developed, where phase equilibrium and calorimetric studies are combined. The Gibbs minimization method was used to investigate the phase diagram of an alkylpyridine-water system. Experiments in an adiabatic calorimeter were performed to assess the safety parameters of the N-oxidation of low-order alkylpyridines (picolines). The purpose of this work is to find a new set of operating conditions where the phase separation and decomposition reactions are suppressed. The conditions will be selected based on three important aspects: the viability of performing the operation at an industrial scale, the efficiency of the reaction, and the operational safety under the new conditions.
机译：由于化学品的性质和可以在异常条件下开发的潜在危险情况，因此存在化学反应中的风险。这些反应在工业过程中使用，但需要一种改进技术，并找到导致更安全操作的替代品。使用过氧化氢作为氧化剂的烷基吡啶的催化N-氧化是需要改进的过程。 N-氧化反应广泛用于制药行业;然而，必须在该过程中解决安全问题：过氧化氢的非常敏感，不希望的分解，其产生氧气和水。危害与氧的产生有关，因为它可以使反应容器过度加压并导致与易燃烷基吡啶结合时的严重爆炸和火灾。以前存在于该反应的实验研究，但反应混合物中相的分离已经阻碍了代表反应的动力学模型的描述，并有助于失控场景预测。为了克服操作限制和危险条件，开发了一种方法，其中相位平衡和量热研究。 GIBBS最小化方法用于研究烷基吡啶水系统的相图。进行绝热量热计的实验以评估低阶烷基吡啶（丘比林）的N-氧化的安全参数。这项工作的目的是找到一组新的操作条件，其中抑制了相分离和分解反应。将根据三个重要方面选择条件：以工业规模，反应效率进行操作的可行性，以及在新条件下的操作安全性。

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