An efficient multiparameter method for the collection of chemical reaction data via ‘one-pot’ transient flow

The advent of transient flow methods has increased the efficiency and diversity of reaction data collected through the collection of data series in a wider reaction space, beyond traditionally temporal series. Thus far, these methods have been limited to studying continuous reaction parameters. In t...

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Bibliographic Details
Published in:Reaction chemistry & engineering 2023-11, Vol.8 (12), p.3196-3202
Main Authors: Schrecker, Linden, Dickhaut, Joachim, Holtze, Christian, Staehle, Philipp, Wieja, Andy, Hellgardt, Klaus, Hii, King Kuok (Mimi)
Format: Article
Language:English
Subjects:
Chemical reactions
Data collection
Parameters
Substrates
Unsteady flow
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Summary:The advent of transient flow methods has increased the efficiency and diversity of reaction data collected through the collection of data series in a wider reaction space, beyond traditionally temporal series. Thus far, these methods have been limited to studying continuous reaction parameters. In this work, transient flow is combined with “one-pot” chemistry (OP-TF) to efficiently collect diverse reaction data on a continuous-discrete multiparameter space, exemplified with the aromatic Claisen rearrangement. Six independent substrates were studied simultaneously, producing data on temperature and substituent effects in a single experiment, extending into the supercritical phase. This data allowed us to extract thermodynamic information and predict kinetic parameters for other substrates accurately, thus allowing synthetic feasibility of a substrate to be assessed a priori .
ISSN:2058-9883
2058-9883
DOI:10.1039/D3RE00439B