With LABS, an open source Python-based lab software is established that enables users to orchestrate automated synthesis setups. The software consists of a user-friendly interface for data input and system monitoring. A flexible backend architecture enables the integration of multiple lab devices. The software allows users to easily modify experimental parameters or routines and switch between different lab devices. Compared to previously published projects, we aim to provide a more widely applicable and easily customizable automation software for any experimental setup. The usefulness of this tool was demonstrated in the oxidative coupling of 2,4-dimethyl-phenol to the corresponding 2,2'-biphenol. In this context, the suitable electrolysis parameters for flow electrolysis were optimized by way of design of experiments.
Keywords: anodic oxidation; automation; cheminformatics; electrochemistry; phenol coupling reaction.
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