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

Sans Sangorrin, V., Porwol, L., Dragone, V. and Cronin, L. (2015) A self optimizing synthetic organic reactor system using real-time in-line NMR spectroscopy. Chemical Science, 6(2), pp. 1258-1264. (doi:10.1039/C4SC03075C)

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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.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Cronin, Professor Leroy and Sans Sangorrin, Dr Victor
Authors: Sans Sangorrin, V., Porwol, L., Dragone, V., and Cronin, L.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Chemical Science
Publisher:R S C Publications
ISSN:2041-6520
ISSN (Online):2041-6539
Copyright Holders:Copyright © 2015 The Royal Society of Chemistry
First Published:First published in Chemical Science 6(2):1258-1264
Publisher Policy:Reproduced under a Creative Commons License

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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
503291Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular LimitLeroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/H024107/1CHEM - CHEMISTRY
562821Innovative Manufacturing Research Centre for Continuous Manufacturing and Crystallisation (CMAC)Leroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/I033459/1CHEM - CHEMISTRY
577391Programmable Molecular Metal Oxides (PMMOs) - From Fundamentals to ApplicationLeroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/J015156/1CHEM - CHEMISTRY
503295Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular LimitLeroy CroninEngineering & Physical Sciences Research Council (EPSRC)EP/H024107/1CHEM - CHEMISTRY