4-undecyl-1,2,4-triazole | 1372898-05-9

• 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-undecyl-1,2,4-triazole
• 英文别名: 4-Undecyl-1,2,4-triazole
• CAS: 1372898-05-9
• 化学式: C₁₃H₂₅N₃
• 分子量: 223.362
• InChiKey: QJMMVAOPRUFUGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-undecyl-1,2,4-triazole 、 水 、 zinc(II) chloride 以 乙醇 、 水 为溶剂， 生成 [Zn(4-undecyl-1,2,4-triazole)3]Cl2*4H2O
  参考文献：
  名称：

  Liquid-Crystalline Zinc(II) and Iron(II) Alkyltriazoles One-Dimensional Coordination Polymers

  摘要：

  Several series of unidimensional coordination polymers of formula [Zn(C(5)H(2n+1)trz)(3)](Cl)(2)center dot xH(2)O (n = 18, 16, 13, 11, 10, trz = 4-substituted-1,2,4-triazole), [Zn(C(18)H(37)trz)(3)](ptol)(2)center dot xH(2)O, [Fe(C(n)H(2n+1)trz)(3)](X)(2)center dot xH(2)O (n = 18, 16, 13, 10; X = Cl- or ptol(-), where ptol(-) = p-tolylsulfonate anion), and [Fe(C(18)H(37)trz)(3)](X)(2)center dot xH(2)O (X = C8H17PhSO3- and C8H17SO3-) are reported with their thermal, structural, and magnetic properties. Most of these materials exhibit thermotropic lamellar mesophases at temperatures as low as 410 K, as confirmed by textures observed by polarized optical microscopy. The corresponding phase diagrams deduced by differential scanning calorimetry are also reported. All iron-containing materials present a spin crossover phenomenon that occurs at temperatures ranging from 242 to 360 K, only slightly below the mesophase temperature domain, and remains complete and cooperative, even for the longer alkyl substituents. The use of stable diamagnetic Zn(II) analogues proves to be very useful to characterize the comparatively less stable and less crystalline Fe(II) analogues.

  DOI：

  10.1021/ic300404r