Self-optimisation and model-based design of experiments for developing a C-H activation flow process.
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ABSTRACT:
SUBMITTER: Echtermeyer A
PROVIDER: S-EPMC5301945 | biostudies-literature | 2017
REPOSITORIES: biostudies-literature
Publications
Self-optimisation and model-based design of experiments for developing a C-H activation flow process.
Echtermeyer Alexander A Amar Yehia Y Zakrzewski Jacek J Lapkin Alexei A
Beilstein journal of organic chemistry 20170124
A recently described C(sp<sup>3</sup>)-H activation reaction to synthesise aziridines was used as a model reaction to demonstrate the methodology of developing a process model using model-based design of experiments (MBDoE) and self-optimisation approaches in flow. The two approaches are compared in terms of experimental efficiency. The self-optimisation approach required the least number of experiments to reach the specified objectives of cost and product yield, whereas the MBDoE approach enabl ...[more]
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