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Real-Time Monitoring of Multistep Batch and Flow Synthesis Processes of a Key Intermediate of Lifitegrast by a Combined Spectrometer System with Both Near-Infrared and Raman Spectroscopies Coupled to Partial Least-Squares
ACS Omega ( IF 3.7 ) Pub Date : 2024-04-26 , DOI: 10.1021/acsomega.4c00565
Quan Liu 1 , Chuanjun Wu 2 , Huiting Liu 3 , Mengfei Wang 2 , Chuanmeng Zhao 2 , Fuli Zhang 2
ACS Omega ( IF 3.7 ) Pub Date : 2024-04-26 , DOI: 10.1021/acsomega.4c00565
Quan Liu 1 , Chuanjun Wu 2 , Huiting Liu 3 , Mengfei Wang 2 , Chuanmeng Zhao 2 , Fuli Zhang 2
Affiliation
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Process analytical technology (PAT) has been successfully applied in numerous chemical synthesis cases and is an important tool in pharmaceutical process research and development. PAT brings new methods and opportunities for the real-time monitoring of chemical processes. In multistep synthesis, real-time monitoring of the complex reaction mixtures is a significant challenge but provides an opportunity to enhance reaction understanding and control. In this study, a combined multichannel spectrometer system with both near-infrared and Raman spectroscopy was built, and calibration models were developed to quantify the desired products, intermediates, and impurities in real-time at multiple points along the synthetic pathway. The capabilities of the system have been demonstrated by operating dynamic experiments in both batch and continuous-flow processes. It represents a significant step forward in data-driven, multistep pharmaceutical ingredient synthesis.
中文翻译:
利用近红外和拉曼光谱与偏最小二乘耦合的组合光谱仪系统实时监测 Lifitegrast 关键中间体的多步间歇和流动合成过程
工艺分析技术(PAT)已成功应用于众多化学合成案例,是制药工艺研发的重要工具。 PAT 为化学过程的实时监控带来了新的方法和机遇。在多步合成中,复杂反应混合物的实时监控是一个重大挑战,但提供了增强反应理解和控制的机会。在这项研究中,建立了具有近红外和拉曼光谱的组合多通道光谱仪系统,并开发了校准模型,以在合成途径的多个点实时量化所需的产物、中间体和杂质。该系统的功能已通过在批量和连续流过程中进行动态实验得到证明。它代表了数据驱动的多步骤药物成分合成领域向前迈出的重要一步。
更新日期:2024-04-26
中文翻译:
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利用近红外和拉曼光谱与偏最小二乘耦合的组合光谱仪系统实时监测 Lifitegrast 关键中间体的多步间歇和流动合成过程
工艺分析技术(PAT)已成功应用于众多化学合成案例,是制药工艺研发的重要工具。 PAT 为化学过程的实时监控带来了新的方法和机遇。在多步合成中,复杂反应混合物的实时监控是一个重大挑战,但提供了增强反应理解和控制的机会。在这项研究中,建立了具有近红外和拉曼光谱的组合多通道光谱仪系统,并开发了校准模型,以在合成途径的多个点实时量化所需的产物、中间体和杂质。该系统的功能已通过在批量和连续流过程中进行动态实验得到证明。它代表了数据驱动的多步骤药物成分合成领域向前迈出的重要一步。