Online quantitative mass spectrometry for the rapid adaptive optimisation of automated flow reactors

Holmes, Nicholas; Akien, Geoffrey R.; Savage, Robert J.D.; Stanetty, Christian; Baxendale, Ian R.; Blacker, A. John; Taylor, Brian A.; Woodward, Robert L.; Meadowse, Rebecca E.; Bourne, Richard A.

Abstract

An automated continuous reactor for the synthesis of organic compounds, which uses online mass spectrometry (MS) for reaction monitoring and product quantification, is presented. Quantitative and rapid MS monitoring was developed and calibrated using HPLC. The amidation of methyl nicotinate with aqueous MeNH2 was optimised using design of experiments and a self-optimisation algorithm approach to produce >93% yield.

Citation

Holmes, N., Akien, G. R., Savage, R. J., Stanetty, C., Baxendale, I. R., Blacker, A. J., …Bourne, R. A. (2016). Online quantitative mass spectrometry for the rapid adaptive optimisation of automated flow reactors. Reaction Chemistry and Engineering, 1(1), 96-100. https://doi.org/10.1039/c5re00083a

• Journal Article Type: Article
• Acceptance Date: Nov 26, 2015
• Online Publication Date: Dec 1, 2015
• Publication Date: Feb 1, 2016
• Deposit Date: Nov 26, 2015
• Publicly Available Date: Nov 25, 2016
• Journal: Reaction Chemistry and Engineering
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 1
• Issue: 1
• Pages: 96-100
• DOI: https://doi.org/10.1039/c5re00083a
• Public URL: https://durham-repository.worktribe.com/output/1395065