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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.

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Authors

Nicholas Holmes

Geoffrey R. Akien

Robert J.D. Savage

Christian Stanetty

A. John Blacker

Brian A. Taylor

Robert L. Woodward

Rebecca E. Meadowse

Richard A. Bourne



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.

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

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