1H,1H,2H,2H-perfluorodecyl-4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazole | 1268721-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1H,1H,2H,2H-perfluorodecyl-4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazole
• 英文别名: 1H,2H,2H,2H-perfluorodecyl-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
• CAS: 1268721-02-3
• 化学式: C₁₆H₁₀F₁₇N₅
• 分子量: 595.262
• InChiKey: YZBQAXHEKZKUEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.08
• 重原子数：
  38.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  48.53
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 1H,1H,2H,2H-perfluorodecyl-4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazole 以 氯仿 为溶剂， 以81%的产率得到[Ru(η6-p-cymene)Cl(1H,1H,2H,2H-perfluorodecyl-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole)2]Cl
  参考文献：
  名称：

  Adding diversity to ruthenium(II)–arene anticancer (RAPTA) compounds via click chemistry: The influence of hydrophobic chains

  摘要：

  The application of click chemistry to develop libraries of organometallic ruthenium-arene complexes with potential anticancer properties has been investigated. A series of ruthenium-imidazole-triazole complexes, with hydrophobic tails, were prepared from a common precursor via click chemistry. The tail could be attached to the ligand prior to coordination to the ruthenium complex or following coordination, the former giving the product in superior yield. The complexes were screened for cytotoxicity in tumourigenic and non-tumourigenic cell lines, and while the compounds were only moderately cytotoxic, good selectivity for tumourigenic cells was observed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.067
• 作为产物：
  描述：

  1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-十七氟-10-碘庚烷 在 sodium azide 、 sodium ascorbate 、 copper(II) sulfate 作用下， 以 水 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 96.0h， 生成 1H,1H,2H,2H-perfluorodecyl-4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazole
  参考文献：
  名称：

  Adding diversity to ruthenium(II)–arene anticancer (RAPTA) compounds via click chemistry: The influence of hydrophobic chains

  摘要：

  The application of click chemistry to develop libraries of organometallic ruthenium-arene complexes with potential anticancer properties has been investigated. A series of ruthenium-imidazole-triazole complexes, with hydrophobic tails, were prepared from a common precursor via click chemistry. The tail could be attached to the ligand prior to coordination to the ruthenium complex or following coordination, the former giving the product in superior yield. The complexes were screened for cytotoxicity in tumourigenic and non-tumourigenic cell lines, and while the compounds were only moderately cytotoxic, good selectivity for tumourigenic cells was observed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.09.067