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<p>This study investigates homogeneous and heterogeneous catalytic strategies for the synthesis of benzene-<i>d</i><sub>6</sub>. By utilizing trifluoroacetic acid-<i>d</i><sub>1</sub> as both the deuterium source and homogeneous acid catalyst, with an equivalent ratio of 200:1 to benzene at 110&#xa0;°C for 10&#xa0;days, we achieved benzene-<i>d</i><sub>6</sub> with deuterium enrichment exceeding 99%. For heterogeneous catalysis, the catalytic efficiency of Pt/C surpassed that of Pd/C. The optimal conditions for producing benzene-<i>d</i><sub>6</sub> with isotopic enrichment of ≥ 99.5% involve using Pt/C catalyst at 20 wt% relative to benzene, D<sub>2</sub>O-to-benzene volumetric ratio of 34:1, and performing the reaction at 180&#xa0;°C for 24&#xa0;h over three consecutive runs.</p>

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Evaluation of homogeneous and heterogeneous catalytic strategies for the preparation of benzene-d6 with high deuterium enrichment

  • 期刊论文

  • 发表日期：

    2025年9月10日

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  • Sodeh Sadjadi,
  • Majid Haji Hosseini,
  • Fahimeh Bayat

摘要

This study investigates homogeneous and heterogeneous catalytic strategies for the synthesis of benzene-d6. By utilizing trifluoroacetic acid-d1 as both the deuterium source and homogeneous acid catalyst, with an equivalent ratio of 200:1 to benzene at 110 °C for 10 days, we achieved benzene-d6 with deuterium enrichment exceeding 99%. For heterogeneous catalysis, the catalytic efficiency of Pt/C surpassed that of Pd/C. The optimal conditions for producing benzene-d6 with isotopic enrichment of ≥ 99.5% involve using Pt/C catalyst at 20 wt% relative to benzene, D2O-to-benzene volumetric ratio of 34:1, and performing the reaction at 180 °C for 24 h over three consecutive runs.