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A Slug Flow Platform with Multiple Process Analytics Facilitates Flexible Reaction Optimization
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DOI：10.1002/advs.202308034.png)
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Abstract
En 中文
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 <10% of the material that would be required for standard flow operation. Finally, a chemometric model is built utilizing automated data handling and three subsequent validation experiments demonstrate good agreement between the slug flow reactor and a standard (larger scale) flow reactor.
Keywords:
Buchwald-Hartwig amination
data-rich experimentation
flow chemistry
kinetics
self-optimization
Journal
IF:
14.1
Papers:
1.7W
Citations:
11.5W