Oxime ether photobromination in a photomicroreactor: Process parameters and kinetic modeling

化学 产量(工程) 动能 卤化 乙醚 混合(物理) 工作(物理) 反应速率常数 活化能 焊剂(冶金) 热力学 物理化学 有机化学 动力学 物理 量子力学
作者
You Ma,Guozhi Qian,Mohsin Pasha,Yuhan Wang,Jiayi Li,Yuzhe Liu,Saier Liu,Xiao Xue,Min Qiu,Zihao Zhong,Minjing Shang,Jie Zheng,Lin Zhigang,Yuanhai Su
出处
期刊:Aiche Journal [Wiley]
标识
DOI:10.1002/aic.18693
摘要

Abstract Photobromination reaction of oxime ether (OE) to brominated oxime ether (BOE) is an important process for the synthesis of trifloxystrobin in the fungicide industry. Herein, continuous synthesis of BOE in photomicroreactors was performed. Initially, an investigation was carried out to study the effects of various parameters, including mixing performance, molar ratios, solvents, incident photon flux, and temperature, on the photobromination process. Moreover, a kinetic model was established, and the activation energies for the main and side reactions were determined. The relationship between the reaction rate constant and light flux was illuminated. Transition states and energy changes in the bromination process were analyzed using density functional theory calculation. Remarkably, an 83.1% yield of BOE was achieved in the photomicroreactor and the required reaction time was reduced to approximately 1/10 of the batch reactor. This work was of crucial theoretical significance and practical value for better understanding of photobromination processes and parameter optimization.
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