4.6 Article

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

Journal

REACTION CHEMISTRY & ENGINEERING
Volume 1, Issue 1, Pages 96-100

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c5re00083a

Keywords

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Funding

  1. AstraZeneca
  2. EPSRC DTG
  3. University of Leeds
  4. EPSRC [EP/K039202/1] Funding Source: UKRI
  5. Austrian Science Fund (FWF) [J 3449] Funding Source: researchfish
  6. Engineering and Physical Sciences Research Council [1603652, EP/K039202/1, 1232745] Funding Source: researchfish

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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.

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