Organic electrosynthesis is a rapidly evolving field, providing powerful methods to assemble targets of interest in organic synthesis. Concerns around the scalability of electrochemical methods remain the biggest reason behind their scarce implementation in manufacturing routes for the pharmaceutical industry. To fill this gap, we report a workflow describing the key reaction parameters toward the successful scale-up of an organic electrosynthetic method from milligram to kilogram scale. The reaction used to demonstrate our workflow and scale-up in a flow setting was the oxidation of a thioether to its corresponding sulfone, a fragment of interest in an active pharmaceutical ingredient under development. The use of online flow nuclear magnetic resonance spectroscopy, offline ion chromatography, cyclic voltammetry, and density functional theory calculations provided insight into the reaction mechanism and side reactions.

中文翻译：

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硫醚到砜的千克级电化学氧化：放大电合成的工作流程

有机电合成是一个快速发展的领域，它提供了强大的方法来组装有机合成中感兴趣的目标。对电化学方法可扩展性的担忧仍然是其在制药行业制造路线中很少实施的最大原因。为了填补这一空白，我们报告了一个工作流程，描述了将有机电合成方法从毫克级成功放大到千克级的关键反应参数。用于演示我们的工作流程和在流动环境中放大的反应是将硫醚氧化为其相应的砜，这是一种正在开发的活性药物成分中感兴趣的片段。使用在线流动核磁共振波谱、离线离子色谱、循环伏安法、