使用流动化学合成 2,4,6-三硝基甲苯 (TNT),Molecules

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使用流动化学合成 2,4,6-三硝基甲苯 (TNT)
Molecules ( IF 4.2 ) Pub Date : 2020-08-06 , DOI: 10.3390/molecules25163586
Dimitris Kyprianou ₁ , Michael Berglund ₁ , Giovanni Emma ₁ , Grzegorz Rarata ₁ , David Anderson ₁ , Gabriela Diaconu ₁ , Vassiliki Exarchou ₁

Affiliation

本文描述了使用全自动流动化学系统对 2,4-二硝基甲苯 (DNT) 进行硝化并以克级转化为 2,4,6-三硝基甲苯 (TNT)。传统上，将 DNT 转化为 TNT 需要使用高度危险的试剂，如发烟硫酸（发烟硫酸）、发烟硝酸 (90–100%) 和高温。与传统合成相比，流动化学具有多种优势，包括高度安全性和更简单的多步骤自动化。描述了基于市售流动化学系统的自动化过程的配置和开发。实现了高转化率（>99%）。与已建立的合成方法不同，采用普通硝化混合物（65% HNO3/98% H2SO4）和更短的反应时间（10-30 分钟）。研究了流动硝化作为安全、连续合成 TNT 方法的可行性。该方法使用实验设计方法进行了优化，所得过程比之前报道的 TNT 合成程序更安全、更快、更高效。我们比较了流动化学和批量方法，包括实验室规模生产的临时成本计算（然而，全面的经济分析超出了本文的范围）。该方法被认为适合安全生产克级高纯度爆炸物标准，用于验证爆炸物痕量检测设备的性能是否符合欧盟监管要求。

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Synthesis of 2,4,6-Trinitrotoluene (TNT) Using Flow Chemistry

This paper describes the nitration of 2,4-dinitrotoluene (DNT) and its conversion to 2,4,6-trinitrotoluene (TNT) at a gram scale with the use of a fully automated flow chemistry system. The conversion of DNT to TNT traditionally requires the use of highly hazardous reagents like fuming sulfuric acid (oleum), fuming nitric acid (90–100%), and elevated temperatures. Flow chemistry offers advantages compared to conventional syntheses including a high degree of safety and simpler multistep automation. The configuration and development of this automated process based on a commercially available flow chemistry system is described. A high conversion rate (>99%) was achieved. Unlike established synthetic methods, ordinary nitrating mixture (65% HNO3/98% H2SO4) and shorter reaction times (10–30 min) were applied. The viability of flow nitration as a means of safe and continuous synthesis of TNT was investigated. The method was optimized using an experimental design approach, and the resulting process is safer, faster, and more efficient than previously reported TNT synthesis procedures. We compared the flow chemistry and batch approaches, including a provisional cost calculation for laboratory-scale production (a thorough economic analysis is, however, beyond the scope of this article). The method is considered fit for purpose for the safe production of high-purity explosives standards at a gram scale, which are used to verify that the performance of explosive trace detection equipment complies with EU regulatory requirements.

更新日期：2020-08-06

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