Flash thermal racemization of chiral amine in continuous flow: an exploration of reaction space using doe and multivariate transient flow
Author(s)
Type
Journal Article
Abstract
The robustness of the flash thermal racemization of optically active 1-phenylethylamine over Pd/γ-Al2O3 was studied by applying split-plot design-of-experiments (DoE), where the effects of temperature, flow rate, and concentration (3-factors) on the e.e. and selectivity (2-responses) were examined and quantified. The same effects were also interrogated using multivariate ramps in transient flow to produce response surfaces for the reaction space. The same set of optimal conditions for the process was identified by both approaches, and the same relationships between the variables were observed: while the extent of racemization (e.e.) can be directly correlated to temperature, a more complex relationship between temperature and flow rate on the selectivity was uncovered.
Date Issued
2025-02-21
Date Acceptance
2025-01-29
Citation
Organic Process Research & Development, 2025, 29 (2), pp.545-554
ISSN
1083-6160
Publisher
American Chemical Society
Start Page
545
End Page
554
Journal / Book Title
Organic Process Research & Development
Volume
29
Issue
2
Copyright Statement
© 2025 The Authors. Published by American Chemical Society. This publication is licensed under CC-BY 4.0 .
License URL
Identifier
10.1021/acs.oprd.4c00508
Subjects
flash thermal racemization
flow chemistry
DoE
transient flow
data-driven
reaction mapping
Publication Status
Published
Date Publish Online
2025-02-11