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

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  • معلومة اضافية
    • المصدر:
      Publisher: WILEY-VCH Country of Publication: Germany NLM ID: 101664569 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2198-3844 (Electronic) Linking ISSN: 21983844 NLM ISO Abbreviation: Adv Sci (Weinh) Subsets: PubMed not MEDLINE; MEDLINE
    • بيانات النشر:
      Original Publication: Weinheim : WILEY-VCH, [2014]-
    • نبذة مختصرة :
      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.
      (© 2024 The Authors. Advanced Science published by Wiley‐VCH GmbH.)
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    • Grant Information:
      9003 Zukunftsfonds Steiermark; Österreichische Forschungsförderungsgesellschaft
    • Contributed Indexing:
      Keywords: Buchwald–Hartwig amination; data‐rich experimentation; flow chemistry; kinetics; self‐optimization
    • الموضوع:
      Date Created: 20240126 Latest Revision: 20240404
    • الموضوع:
      20250114
    • الرقم المعرف:
      PMC10987115
    • الرقم المعرف:
      10.1002/advs.202308034
    • الرقم المعرف:
      38273711