利用实验设计（DoE）优化连续流反应器中的蓝光 LED 光流合成：高效合成多种二芳基酮

IF 13.3 1区工程技术 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Pub Date : 2024-11-13 DOI:10.1016/j.cej.2024.157657

Haya Khan, V.M. Rajesh, Mahesh K. Ravva, Subhabrata Sen

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引用次数: 0

摘要

在此，我们利用实验设计（DoE），展示了室温下在乙酸乙酯中利用蓝光 LED（450 纳米）诱导各种芳基和杂芳基醛与 1,4-醌之间形成 C-C 键的优化方法。该反应是在一个使用毫流体蜿蜒通道反应器（MC2）的流动（微流体和毫流体）装置中进行的，从而产生了一个具有中等至良好产率的多种取代的二芳基酮库。为阐明反应机理，进行了控制实验和基于密度泛函理论（DFT）的计算研究。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Optimization of blue LED photo-flow synthesis in continuous flow reactors using design of experiments (DoE): Efficient synthesis of diverse diaryl ketones

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Optimization of blue LED photo-flow synthesis in continuous flow reactors using design of experiments (DoE): Efficient synthesis of diverse diaryl ketones

Herein, we demonstrated the optimization of a blue LED (450 nm) induced C-C bond formation between various aryl and heteroaryl aldehydes with 1,4-quinones at room temperature in ethyl acetate using Design of Experiments (DoE). This reaction was conducted within a flow (micro and milli-fluidic) device using a millifluidic meandering channel reactor (MC2), resulting in a library of diversely substituted diaryl ketones with moderate to good yields. Control experiments and density functional theory (DFT) based computational investigations were performed to elucidate the reaction mechanism.

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来源期刊

Chemical Engineering Journal 工程技术-工程：化工

CiteScore

21.70

自引率

9.30%

发文量

6781

审稿时长

2.4 months

期刊介绍： The Chemical Engineering Journal is an international research journal that invites contributions of original and novel fundamental research. It aims to provide an international platform for presenting original fundamental research, interpretative reviews, and discussions on new developments in chemical engineering. The journal welcomes papers that describe novel theory and its practical application, as well as those that demonstrate the transfer of techniques from other disciplines. It also welcomes reports on carefully conducted experimental work that is soundly interpreted. The main focus of the journal is on original and rigorous research results that have broad significance. The Catalysis section within the Chemical Engineering Journal focuses specifically on Experimental and Theoretical studies in the fields of heterogeneous catalysis, molecular catalysis, and biocatalysis. These studies have industrial impact on various sectors such as chemicals, energy, materials, foods, healthcare, and environmental protection.