Sans Victor, Porwol Luzian, Dragone Vincenza, Cronin Leroy
WestCHEM , School of Chemistry , The University of Glasgow , Glasgow G12 8QQ , UK . Email:
Chem Sci. 2015 Feb 1;6(2):1258-1264. doi: 10.1039/c4sc03075c. Epub 2014 Nov 14.
A configurable platform for synthetic chemistry incorporating an in-line benchtop NMR that is capable of monitoring and controlling organic reactions in real-time is presented. The platform is controlled a modular LabView software control system for the hardware, NMR, data analysis and feedback optimization. Using this platform we report the real-time advanced structural characterization of reaction mixtures, including F, C, DEPT, 2D NMR spectroscopy (COSY, HSQC and F-COSY) for the first time. Finally, the potential of this technique is demonstrated through the optimization of a catalytic organic reaction in real-time, showing its applicability to self-optimizing systems using criteria such as stereoselectivity, multi-nuclear measurements or 2D correlations.
本文介绍了一种用于合成化学的可配置平台，该平台集成了在线台式核磁共振仪，能够实时监测和控制有机反应。该平台由一个模块化的LabView软件控制系统控制，用于硬件、核磁共振、数据分析和反馈优化。利用该平台，我们首次报告了反应混合物的实时高级结构表征，包括氟、碳、DEPT、二维核磁共振光谱（COSY、HSQC和F-COSY）。最后，通过实时优化催化有机反应展示了该技术的潜力，表明其适用于使用立体选择性、多核测量或二维相关性等标准的自优化系统。
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