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

Sans, Victor; Porwol, Luzian; Dragonea, Vincenza; Cronin, Leroy

Abstract

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

Citation

Sans, V., Porwol, L., Dragonea, V., & Cronin, L. (2015). A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy. Chemical Science, 6(2), 1258-1264. doi:10.1039/c4sc03075c

• Journal Article Type: Article
• Acceptance Date: Nov 14, 2014
• Online Publication Date: Nov 14, 2014
• Publication Date: Feb 1, 2015
• Deposit Date: Jul 5, 2018
• Publicly Available Date: Feb 7, 2019
• Print ISSN: 2041-6520
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 6
• Issue: 2
• Pages: 1258-1264
• DOI: https://doi.org/10.1039/c4sc03075c
• Public URL: https://nottingham-repository.worktribe.com/output/1102154
• Publisher URL: https://pubs.rsc.org/en/Content/ArticleLanding/2015/SC/C4SC03075C#!divAbstract
• PMID: 00034814