1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole | 1361214-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole
• 英文别名: 1-[[4-(Benzotriazol-2-ylmethyl)phenyl]methyl]benzotriazole；1-[[4-(benzotriazol-2-ylmethyl)phenyl]methyl]benzotriazole
• CAS: 1361214-85-8
• 化学式: C₂₀H₁₆N₆
• 分子量: 340.387
• InChiKey: DBHHMGPBYXPDMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole 、 乙腈 、 copper dichloride 以 乙腈 为溶剂， 以64%的产率得到[Cu2Cl4([1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole])2]*2acetonitrile
  参考文献：
  名称：

  The first structural determination of a copper (II) complex containing the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole]

  摘要：

  The reaction of the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole] (L) with CuCl2 in acetonitrile yields a dinuclear copper(II) complex [Cu2Cl4L2]center dot 2CH(3)CN (1.2CH3CN), which has been characterized by elemental analysis, powder and single crystal X-ray diffraction, thermal gravimetric analysis as well as IR, UV-Vis and EPR spectroscopy The crystal structure reveals that the metal coordination geometry is best described as square planar. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.063
• 作为产物：
  描述：

  T406石油添加剂 、 1,4-对二氯苄 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 8.5h， 以79.3%的产率得到1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole
  参考文献：
  名称：

  The first structural determination of a copper (II) complex containing the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole]

  摘要：

  The reaction of the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole] (L) with CuCl2 in acetonitrile yields a dinuclear copper(II) complex [Cu2Cl4L2]center dot 2CH(3)CN (1.2CH3CN), which has been characterized by elemental analysis, powder and single crystal X-ray diffraction, thermal gravimetric analysis as well as IR, UV-Vis and EPR spectroscopy The crystal structure reveals that the metal coordination geometry is best described as square planar. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.10.063

文献信息

• The first structural determination of a copper (II) complex containing the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole]
  作者：George E. Kostakis、Pantelis Xydias、Ebbe Nordlander、John C. Plakatouras

  DOI：10.1016/j.ica.2011.10.063

  日期：2012.3

  The reaction of the ligand [1-(4-((1H-benzo[d][1,2,3]triazol-2(3H)-yl)methyl)benzyl)-1H-benzo[d][1,2,3]triazole] (L) with CuCl2 in acetonitrile yields a dinuclear copper(II) complex [Cu2Cl4L2]center dot 2CH(3)CN (1.2CH3CN), which has been characterized by elemental analysis, powder and single crystal X-ray diffraction, thermal gravimetric analysis as well as IR, UV-Vis and EPR spectroscopy The crystal structure reveals that the metal coordination geometry is best described as square planar. (C) 2011 Elsevier B. V. All rights reserved.