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<p>Cyclen is key intermediate in gadolinium-based contrast agents, with high-purity cyclen vital for controlling impurities in drug synthesis. Consequently, understanding its solubility and solid–liquid equilibrium data is critical for initial studies in industrial applications. This study examines the mole fraction solubility of cyclen in eight mono-solvents as well as in four binary solvent mixtures over a temperature range of 283.15–328.15&#xa0;K. The solubility of cyclen in a mono-solvent was analyzed and fitted using several models: the modified Apelblat model, the Buchowski-Ksiazaczak λ<i>h</i> model, and the KAT-LSER model. For the solubility data of cyclen in a binary mixed solvent, the fitting uses the GCM and the Jouyban-Acree-Van’t Hoff model. By comparing the models, we found that the modified Apelblat model and the GCM provide more accurate predictions of solubility in both pure and binary mixed solvents. In conclusion, the Van’t Hoff model is used to assess cyclen’s thermodynamic properties. This investigation establishes a theoretical basis for the synthesis of cyclen, underscoring its vital importance.</p>

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Thermodynamic Analysis of Cyclen Solubility in Diverse Solvent Systems at T = 283.15–328.15 K

  • 期刊论文

  • 发表日期：

    2025年12月9日

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  • Feiyu Li,
  • Yi Zhu,
  • Han Dong,
  • Dingqiang Lu,
  • Xinxian Wang

摘要

Cyclen is key intermediate in gadolinium-based contrast agents, with high-purity cyclen vital for controlling impurities in drug synthesis. Consequently, understanding its solubility and solid–liquid equilibrium data is critical for initial studies in industrial applications. This study examines the mole fraction solubility of cyclen in eight mono-solvents as well as in four binary solvent mixtures over a temperature range of 283.15–328.15 K. The solubility of cyclen in a mono-solvent was analyzed and fitted using several models: the modified Apelblat model, the Buchowski-Ksiazaczak λh model, and the KAT-LSER model. For the solubility data of cyclen in a binary mixed solvent, the fitting uses the GCM and the Jouyban-Acree-Van’t Hoff model. By comparing the models, we found that the modified Apelblat model and the GCM provide more accurate predictions of solubility in both pure and binary mixed solvents. In conclusion, the Van’t Hoff model is used to assess cyclen’s thermodynamic properties. This investigation establishes a theoretical basis for the synthesis of cyclen, underscoring its vital importance.