Autonomous closed-loop photochemical reaction optimization for the synthesis of various angiotensin II receptor blocker molecules†

IF 3.4 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Reaction Chemistry & Engineering Pub Date : 2024-06-06 DOI:10.1039/D4RE00138A
Dnyaneshwar Aand, Abhilash Rana, Amirreza Mottafegh, Dong Pyo Kim and Ajay K. Singh
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Abstract

Optimization is gaining huge attention in industries like pharmaceuticals, fine chemicals, and petrochemicals to maximize reaction yield, minimize waste, and improve process efficiency. Optimization is keeping pace with variations in multiple reaction conditions and sustaining a shift from laboratories to industries. Herein, we report an integrated continuous flow reactor platform with Bayesian optimization (BO)-assisted reaction optimization that can autonomously explore the optimal conditions for photochemical bromination reactions of biologically active sartan intermediates. Further, the controlled optimized parameter is extended towards the efficient solar light utility for bromination reactions, and the reaction is achieved in a residence time of 32 sec with an excellent space–time yield of 7 kg L−1 h−1. The individual photobromination and nucleophilic substitution steps for sartan intermediate synthesis smoothly transitioned from the mg h−1 to kg h−1 production. In addition, autonomously explored bromination conditions are integrated with continuous flow tools for synthesizing, extracting, and purifying the angiotensin II receptor blocker intermediate within only 7.2 min.

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合成各种血管紧张素 II 受体阻断剂分子的自主闭环光化学反应优化
在制药、精细化工和石油化工等行业中,优化正受到极大关注,它可以最大限度地提高反应产量、减少浪费并提高工艺效率。优化正与多种反应条件的变化保持同步,并持续从实验室向工业转变。在此,我们报告了一个集成的连续流反应器平台,该平台采用贝叶斯优化(BO)辅助反应优化,可自主探索生物活性沙坦中间体光化学溴化反应的最佳条件。此外,受控的优化参数还可扩展至高效利用太阳光进行溴化反应,并在 32 秒的停留时间内实现反应,同时获得 7 kg L-1 h-1 的优异时空产量。沙坦中间体合成的各个光溴化和亲核取代步骤从毫克/小时-1 的产量顺利过渡到公斤/小时-1 的产量。此外,自主探索的溴化条件与连续流工具相结合,只需 7.2 分钟即可合成、提取和纯化血管紧张素 II 受体阻断剂中间体。
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来源期刊
Reaction Chemistry & Engineering
Reaction Chemistry & Engineering Chemistry-Chemistry (miscellaneous)
CiteScore
6.60
自引率
7.70%
发文量
227
期刊介绍: Reaction Chemistry & Engineering is a new journal reporting cutting edge research into all aspects of making molecules for the benefit of fundamental research, applied processes and wider society. From fundamental, molecular-level chemistry to large scale chemical production, Reaction Chemistry & Engineering brings together communities of chemists and chemical engineers working to ensure the crucial role of reaction chemistry in today’s world.
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