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

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...

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Detalles Bibliográficos
Autores principales: Sans, Victor, Porwol, Luzian, Dragone, Vincenza, Cronin, Leroy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2015
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5811122/
https://www.ncbi.nlm.nih.gov/pubmed/29560211
http://dx.doi.org/10.1039/c4sc03075c
Descripción
Sumario: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 (19)F, (13)C, DEPT, 2D NMR spectroscopy (COSY, HSQC and (19)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.

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