2,2'-(1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2'-(1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol
• 英文别名: 2-[[[1-[[6-[[4-[[(2-Hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]methyl]pyridin-2-yl]methyl]triazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenol；2-[[[1-[[6-[[4-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]methyl]pyridin-2-yl]methyl]triazol-4-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenol
• 化学式: C₃₉H₃₉N₁₁O₂
• 分子量: 693.811
• InChiKey: JBZRAKMOQVMTQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  52
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 2,2'-(1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol 、 四苯硼钠 、 N,N-二甲基甲酰胺 在 三乙胺 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 0.08h， 以60%的产率得到[(2,2'-(1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol)(-2H)Cu₂](BPh₄)₂*2DMF
  参考文献：
  名称：

  Two multidentate ligands utilizing triazolyl, pyridinyl and phenolate groups as donors for constructing dinuclear copper(II) and iron(III) complexes: Syntheses, structures, and electrochemistry

  摘要：

  Two multidentate ligands 2,2'-(1,1'-(pyridine-2,6-diylbis(methylene)) bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol (H2LI) and N,N'-((1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine) (L-II) containing triazolyl, phenolate and pyridinyl groups were prepared by click reaction between diazide and terminal alkynes in the presence of catalyst CuI. Both ligands were reacted with Cu2+ and Fe3+ salts to give three dinuclear complexes [(LCu2)-Cu-I](BPh4)(2)center dot 2DMF (1), [L-II(DMF)(2)Cu-2](ClO4)(4)center dot H2O (2) and [L-II(FeCl2) (2)](PF6)(2) (3). All complexes were characterized by IR, UV-Vis spectra and element analysis. X-ray analysis revealed that the Cu2+ centers in complexes 1 and 2 adopted the distorted trigonal bipyramidal geometry, and the Fe3+ center in complex 3 chose an octahedral geometry. In addition, the electrochemistry of complexes 1-3 was investigated. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.08.051
• 作为产物：
  描述：

  2-((pyridin-2-ylmethylimino)methyl)phenol 在 sodium tetrahydroborate 、 copper(l) iodide 、 potassium carbonate 、 三乙胺 、 potassium iodide 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 76.0h， 生成 2,2'-(1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol
  参考文献：
  名称：

  Two multidentate ligands utilizing triazolyl, pyridinyl and phenolate groups as donors for constructing dinuclear copper(II) and iron(III) complexes: Syntheses, structures, and electrochemistry

  摘要：

  Two multidentate ligands 2,2'-(1,1'-(pyridine-2,6-diylbis(methylene)) bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol (H2LI) and N,N'-((1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine) (L-II) containing triazolyl, phenolate and pyridinyl groups were prepared by click reaction between diazide and terminal alkynes in the presence of catalyst CuI. Both ligands were reacted with Cu2+ and Fe3+ salts to give three dinuclear complexes [(LCu2)-Cu-I](BPh4)(2)center dot 2DMF (1), [L-II(DMF)(2)Cu-2](ClO4)(4)center dot H2O (2) and [L-II(FeCl2) (2)](PF6)(2) (3). All complexes were characterized by IR, UV-Vis spectra and element analysis. X-ray analysis revealed that the Cu2+ centers in complexes 1 and 2 adopted the distorted trigonal bipyramidal geometry, and the Fe3+ center in complex 3 chose an octahedral geometry. In addition, the electrochemistry of complexes 1-3 was investigated. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.08.051

文献信息

• Two multidentate ligands utilizing triazolyl, pyridinyl and phenolate groups as donors for constructing dinuclear copper(II) and iron(III) complexes: Syntheses, structures, and electrochemistry
  作者：Xiuli You、Zhenhong Wei

  DOI：10.1016/j.ica.2014.08.051

  日期：2014.11

  Two multidentate ligands 2,2'-(1,1'-(pyridine-2,6-diylbis(methylene)) bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene)bis((pyridin-2-ylmethyl)azanediyl)bis(methylene)diphenol (H2LI) and N,N'-((1,1'-(pyridine-2,6-diylbis(methylene))bis(1H-1,2,3-triazole-4,1-diyl))bis(methylene))bis(1-(pyridin-2-yl)-N-(pyridin-2-ylmethyl)methanamine) (L-II) containing triazolyl, phenolate and pyridinyl groups were prepared by click reaction between diazide and terminal alkynes in the presence of catalyst CuI. Both ligands were reacted with Cu2+ and Fe3+ salts to give three dinuclear complexes [(LCu2)-Cu-I](BPh4)(2)center dot 2DMF (1), [L-II(DMF)(2)Cu-2](ClO4)(4)center dot H2O (2) and [L-II(FeCl2) (2)](PF6)(2) (3). All complexes were characterized by IR, UV-Vis spectra and element analysis. X-ray analysis revealed that the Cu2+ centers in complexes 1 and 2 adopted the distorted trigonal bipyramidal geometry, and the Fe3+ center in complex 3 chose an octahedral geometry. In addition, the electrochemistry of complexes 1-3 was investigated. (C) 2014 Elsevier B.V. All rights reserved.