Article ; Online: A Slug Flow Platform with Multiple Process Analytics Facilitates Flexible Reaction Optimization.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
2024 Volume 11, Issue 13, Page(s) e2308034
Abstract: 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 ... ...
| Abstract | 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. |
|---|---|
| Language | English |
| Publishing date | 2024-01-25 |
| Publishing country | Germany |
| Document type | Journal Article |
| ZDB-ID | 2808093-2 |
| ISSN | 2198-3844 ; 2198-3844 |
| ISSN (online) | 2198-3844 |
| ISSN | 2198-3844 |
| DOI | 10.1002/advs.202308034 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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