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<p>Para-Nitrotoluene (<i>p</i>-NT) is mainly used as synthetic intermediates, raw materials for explosives, solvents, and surfactants, and is widely used in chemical and material fields. This conventional mixed acid (HNO<sub>3</sub>–H<sub>2</sub>SO<sub>4</sub>) method predominantly yields ortho-nitrotoluene (<i>o</i>-NT) and generates substantial acid waste, contributing to environmental pollution. This study presents a novel, eco-friendly approach for the selective synthesis of <i>p</i>-NT under mild conditions. By employing solid acid catalysts in place of liquid acids, utilizing nitrogen dioxide (NO<sub>2</sub>) as a green nitrating agent, and incorporating oxygen to enhance efficiency, improved outcomes were achieved. Among the various methods tested, BiCl<sub>3</sub>–H<sub>3</sub>SiO<sub>3</sub> demonstrated superior catalytic activity and ease of separation. The optimized conditions resulted in a 86.7% conversion rate of toluene (TB) with a 58.6% selectivity for <i>p</i>-NT and a <i>p/o</i> ratio of 1.59. The catalyst was characterized by XRD, BET, ICP-AES, FTIR, TG/DTG, NH<sub>3</sub>-TPD, Py-FTIR, and XPS techniques, and the theoretical calculations and experimental results were combined to propose a potential catalytic nitration mechanism.</p>

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Preparation of para-nitrotoluene from liquid phase catalytic nitration of toluene with nitrogen dioxide over BiCl3–H2SiO3

  • 期刊论文

  • 发表日期：

    2026年3月21日

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  • Renjie Deng,
  • Yao Tian,
  • Yanan Wei,
  • Huajie Liu

摘要

Para-Nitrotoluene (p-NT) is mainly used as synthetic intermediates, raw materials for explosives, solvents, and surfactants, and is widely used in chemical and material fields. This conventional mixed acid (HNO3–H2SO4) method predominantly yields ortho-nitrotoluene (o-NT) and generates substantial acid waste, contributing to environmental pollution. This study presents a novel, eco-friendly approach for the selective synthesis of p-NT under mild conditions. By employing solid acid catalysts in place of liquid acids, utilizing nitrogen dioxide (NO2) as a green nitrating agent, and incorporating oxygen to enhance efficiency, improved outcomes were achieved. Among the various methods tested, BiCl3–H3SiO3 demonstrated superior catalytic activity and ease of separation. The optimized conditions resulted in a 86.7% conversion rate of toluene (TB) with a 58.6% selectivity for p-NT and a p/o ratio of 1.59. The catalyst was characterized by XRD, BET, ICP-AES, FTIR, TG/DTG, NH3-TPD, Py-FTIR, and XPS techniques, and the theoretical calculations and experimental results were combined to propose a potential catalytic nitration mechanism.