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

Research output: Contribution to Journal/MagazineJournal articlepeer-review

Published
  • Nicholas Holmes
  • Geoffrey R. Akien
  • Robert J. D. Savage
  • Christian Stanetty
  • Ian R. Baxendale
  • A. John Blacker
  • Brian A. Taylor
  • Robert L. Woodward
  • Rebecca E. Meadows
  • Richard A. Bourne
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<mark>Journal publication date</mark>2016
<mark>Journal</mark>Reaction Chemistry and Engineering
Issue number1
Volume2016
Number of pages5
Pages (from-to)96-100
Publication StatusPublished
Early online date1/12/15
<mark>Original language</mark>English

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.