A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy

作者：Sans Victor; Porwol Luzian; Dragone Vincenza; Cronin Leroy^*

来源：Chemical Science, 2015, 6(2): 1258-1264.

DOI：10.1039/c4sc03075c

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 via 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-19, C-13, DEPT, 2D NMR spectroscopy (COSY, HSQC and F-19-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.

• 出版日期2015