4-(11-hydroxyundecyl)-4H-1,2,4-triazole | 351436-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(11-hydroxyundecyl)-4H-1,2,4-triazole
• 英文别名: 11-(1,2,4-triazol-4-yl)undecan-1-ol
• CAS: 351436-53-8
• 化学式: C₁₃H₂₅N₃O
• 分子量: 239.361
• InChiKey: PZNJBLQJRQUDEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基丙烯酰氯 、 4-(11-hydroxyundecyl)-4H-1,2,4-triazole 在 吡啶 作用下， 反应 2.5h， 以61%的产率得到11-(4H-1,2,4-triazol-4-yl)-undecyl methacrylate
  参考文献：
  名称：

  Preparation and Radical Oligomerization of anFe(II) Complex without Loss of Spin-Crossover Properties

  摘要：

  11-(4H-1,2,4-Triazol-4-yl)-undecylmethacrylate (1), a new ligand for Fe(II) spin-crossover (SCO) complexes containing a polymerizable group, was synthesized and characterized. The complex [Fe .1(3)](BF(4))(2) (2) was obtained by reaction of 1 with Fe(BF(4))(2) . 6H(2)O (molar ratio 1/Fe(II)= 3/1) in THF. Complex 2 showed a gradual spin-crossover between 80 and 230K. The methacrylate units in the ligands of complex 2 could be oligomerized radically in solution (initiator: azoisobutyronitrile) without loss of the spin-crossover behaviour.

  DOI：

  10.1007/s007060170114
• 作为产物：
  描述：

  2-[(11-bromoundecyl)oxy]tetrahydro-2H-pyran 在 sodium methylate 、 potassium iodide 作用下， 以 甲醇 、 硝基甲烷 为溶剂， 反应 98.33h， 生成 4-(11-hydroxyundecyl)-4H-1,2,4-triazole
  参考文献：
  名称：

  Preparation and Radical Oligomerization of anFe(II) Complex without Loss of Spin-Crossover Properties

  摘要：

  11-(4H-1,2,4-Triazol-4-yl)-undecylmethacrylate (1), a new ligand for Fe(II) spin-crossover (SCO) complexes containing a polymerizable group, was synthesized and characterized. The complex [Fe .1(3)](BF(4))(2) (2) was obtained by reaction of 1 with Fe(BF(4))(2) . 6H(2)O (molar ratio 1/Fe(II)= 3/1) in THF. Complex 2 showed a gradual spin-crossover between 80 and 230K. The methacrylate units in the ligands of complex 2 could be oligomerized radically in solution (initiator: azoisobutyronitrile) without loss of the spin-crossover behaviour.

  DOI：

  10.1007/s007060170114