A Slug Flow Platform with Multiple Process Analytics Facilitates Flexible Reaction Optimization

Flow processing offers many opportunities to optimize reactions in a rapid and automated manner, yet often requires relatively large quantities of input materials. To combat this, the use of a flexible slug flow reactor, equipped with two analytical instruments, for low‐volume optimization experimen...

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Bibliographic Details
Published in:Advanced science 2024-04, Vol.11 (13), p.e2308034-n/a
Main Authors: Wagner, Florian, Sagmeister, Peter, Jusner, Clemens E., Tampone, Thomas G., Manee, Vidhyadhar, Buono, Frederic G., Williams, Jason D., Kappe, C. Oliver
Format: Article
Language:English
Subjects:
Automation
Buchwald–Hartwig amination
Chromatography
data‐rich experimentation
Design of experiments
flow chemistry
Fourier transforms
kinetics
Optimization techniques
Reagents
self‐optimization
Solvents
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Summary:Flow processing offers many opportunities to optimize reactions in a rapid and automated manner, yet often requires relatively large quantities of input materials. To combat this, the use of a flexible slug flow reactor, equipped with two analytical instruments, for low‐volume optimization experiments are reported. A Buchwald–Hartwig amination toward the drug olanzapine, with 6 independent optimizable variables, is optimized using three different automated approaches: self‐optimization, design of experiments, and kinetic modeling. These approaches are complementary and provide differing information on the reaction: pareto optimal operating points, response surface models, and mechanistic models, respectively. The results are achieved using
ISSN:2198-3844
2198-3844
DOI:10.1002/advs.202308034