A microreactor system consisting of membrane-dispersion tube-in-tube microreactors and delay loops was developed for the continuous synthesis of 1-ethoxy-2,3-difluoro-4-iodo-benzene. Because of the high mass and heat transfer in the microreactor system, ortho- and halogen-lithiation could be performed at −40 and −20°C, respectively, which are much higher than the temperature required (−70°C) for the batch reaction. In stirred tanks, the yield of 1-ethoxy-2,3-difluoro-4-iodo-benzene reaches 91.0% in 70 min. Nearly the same yield of 91.3% was achieved within a shorter time of 16 min in the microreactor system. Furthermore, the kinetics of ortho-lithiation calculated by the Gaussian software, were used for the computational fluid dynamics (CFD) simulations of the reaction process in another microreactor system. Thus, a Gaussian-CFD-coupled-method for efficiently predicting reaction kinetics and yield without experiments could be established. The predicted yield reached 88.7% at 1000 s, which is comparable with the experimental yield of 90.1% at 960 s.

中文翻译：

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在微反应器系统中连续合成1-乙氧基-2,3-二氟-4-碘代苯以及高斯和计算流体动力学模拟

开发了由膜分散管内微反应器和延迟环组成的微反应器系统，用于连续合成1-乙氧基-2,3-二氟-4-碘代苯。由于微反应器系统中的高质量和传热，原位和卤素锂化可以分别在-40和-20°C下进行，这远高于该批次所需的温度（-70°C）反应。在搅拌釜中，在70分钟内1-乙氧基-2,3-二氟-4-碘代苯的收率达到91.0％。在微型反应器系统中，在16分钟的较短时间内，几乎达到了91.3％的相同收率。此外，由高斯软件计算的邻位锂化动力学用于另一个微反应器系统中反应过程的计算流体动力学（CFD）模拟。因此，可以建立无需进行实验即可有效预测反应动力学和产率的高斯-CFD耦合方法。预计的产量在1000 s时达到88.7％，与960 s的90.1％的实验产量相当。