Reactor and kinetic study advances for highly acidic solvolysis-mediated Friedel–Crafts reaction

IF 2.9 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

Reaction Chemistry & Engineering Pub Date : 2025-12-05 DOI:10.1039/D5RE00379B

Colin Bailey, Connor Donlan, Matthew Glace, Gabrielle Broussard, Someshwar Nagamalla, Lane B. Carasik and Thomas D. Roper

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Abstract

This study presents a kinetic model that simulates the consumption of 4-hydroxybenzoic acid (4-HBA), the formation of di-isopropyl benzoic acid (DIPBA) via a Friedel–Crafts alkylation reaction, and the generation of key impurities. The model provides valuable insights into reaction dynamics by capturing the intricate interplay between reaction kinetics and competing pathways. In addition, we introduce a cost-effective, scalable reactor design that overcomes the limitations of traditional laboratory-based reactor systems. The reactor system enhances safety, efficiency, and adaptability, making it ideal for large-scale, highly acidic reactions in laboratory settings. Together, this work underscores the insights and limitations of conventional kinetic modeling for solvolysis-mediated Friedel–Crafts reactions and lays the foundation for more efficient and innovative approaches to chemical process development.

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高酸性溶剂分解介导的Friedel-Crafts反应反应器及动力学研究进展

本研究建立了一个动力学模型，模拟了4-羟基苯甲酸（4-HBA）的消耗，通过Friedel-Crafts烷基化反应生成二异丙基苯甲酸（DIPBA），以及关键杂质的生成。该模型通过捕捉反应动力学和竞争途径之间复杂的相互作用，为反应动力学提供了有价值的见解。此外，我们还介绍了一种具有成本效益，可扩展的反应器设计，克服了传统实验室反应器系统的局限性。反应器系统提高了安全性，效率和适应性，使其成为实验室环境中大规模，高酸性反应的理想选择。总之，这项工作强调了溶剂分解介导的Friedel-Crafts反应的传统动力学建模的见解和局限性，并为更有效和创新的化学过程开发方法奠定了基础。

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来源期刊

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.