bis(1,2,3-triazol-1-yl)methane | 1427289-75-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis(1,2,3-triazol-1-yl)methane
• 英文别名: 1-(Triazol-1-ylmethyl)triazole
• CAS: 1427289-75-5
• 化学式: C₅H₆N₆
• 分子量: 150.143
• InChiKey: BTIHBLICQHCWRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  iron(II) perchlorate hexahydrate 、 bis(1,2,3-triazol-1-yl)methane 、 乙腈 反应 24.0h， 以80%的产率得到[Fe(bis(1,2,3-triazol-1-yl)methane)2(CH3CN)2](ClO4)2*2CH3CN
  参考文献：
  名称：

  1D Spin‐Crossover Networks Containing a Fe^II(1,2,3‐triazol‐1‐yl)₄(CH₃CN)₂‐Type Core

  摘要：

  AbstractBis(1,2,3‐triazol‐1‐yl)methane (mbtr) was used to prepare 1D networks in which neighboring iron(II) ions are tethered by two semiflexible ligand molecules. [Fe(mbtr)2(CH3CN)2]X2·2CH3CN (X = BF4–, ClO4–) systems represent unique example of complexes that are based on monosubstituted 1,2,3‐triazoles, in which four 1,2,3‐triazole rings and two axially coordinated nitrile molecules form the first coordination sphere. Single‐crystal X‐ray diffraction and magnetic studies revealed that, in addition to homoleptic [Fe(1,2,3‐triazol)6]‐type core systems, complexes possessing the Fe(1,2,3‐triazolyl)4(CH3CN)2‐type core also exhibit thermally induced spin crossover.

  DOI：

  10.1002/ejic.201201115
• 作为产物：
  描述：

  sodium triazole 、 二溴甲烷 以 乙腈 为溶剂， 反应 72.0h， 以23%的产率得到bis(1,2,3-triazol-1-yl)methane
  参考文献：
  名称：

  1D Spin‐Crossover Networks Containing a Fe^II(1,2,3‐triazol‐1‐yl)₄(CH₃CN)₂‐Type Core

  摘要：

  AbstractBis(1,2,3‐triazol‐1‐yl)methane (mbtr) was used to prepare 1D networks in which neighboring iron(II) ions are tethered by two semiflexible ligand molecules. [Fe(mbtr)2(CH3CN)2]X2·2CH3CN (X = BF4–, ClO4–) systems represent unique example of complexes that are based on monosubstituted 1,2,3‐triazoles, in which four 1,2,3‐triazole rings and two axially coordinated nitrile molecules form the first coordination sphere. Single‐crystal X‐ray diffraction and magnetic studies revealed that, in addition to homoleptic [Fe(1,2,3‐triazol)6]‐type core systems, complexes possessing the Fe(1,2,3‐triazolyl)4(CH3CN)2‐type core also exhibit thermally induced spin crossover.

  DOI：

  10.1002/ejic.201201115