tetraethyl 2,2',2'',2'''-([1,1'-binaphthalene]-2,2'-diylbis(azanetriyl))tetraacetate | 1422286-13-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tetraethyl 2,2',2'',2'''-([1,1'-binaphthalene]-2,2'-diylbis(azanetriyl))tetraacetate
• CAS: 1422286-13-2
• 化学式: C₃₆H₄₀N₂O₈
• 分子量: 628.722
• InChiKey: QDGYUBOCDOSFMH-UHFFFAOYSA-N

物化性质

• 沸点：
  744.0±60.0 °C(Predicted)
• 密度：
  1.230±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.53
• 重原子数：
  46.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  111.68
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  tetraethyl 2,2',2'',2'''-([1,1'-binaphthalene]-2,2'-diylbis(azanetriyl))tetraacetate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 24.0h， 以76%的产率得到1,1'-binaphthalenyl-2,2'-diamine-N,N,N',N'-tetraacetic acid
  参考文献：
  名称：

  Syntheses, structures, and fluorescence properties of cadmium(II) and zinc(II) complexes based on 1,1′-binaphthalenyl-2,2′-diamine-N,N,N′,N′-tetraacetic acid

  摘要：

  Solvothermal reaction of Cd(II)/Zn(II) salts with 1,1'-binaphthaleny1-2,2'-diamine-N,N,N',N'-tetraacetic acid (H4L) ligand results in the formation of five interesting complexes [Cd-2(L)(phen)(2)(H2O)]center dot 2H(2)O (1), [Cd-4(L)(2)(phen)(2)(H2O)7]center dot CH3OH center dot 10H(2)O (2), ([Cd-5(L)(2)(H2O)(3)(OH)(2)]center dot H2O)n (3), [Zn-2(L)(phen)(2)(H2O)]center dot 2H(2)O (4) and {[Zn-2(L)(H2O)(4)]center dot 2.25H(2)O}(n) (5), where phen = 1,10-phenanthroline. The structure of 1 is dinuclear, and that of 2 is tetranuclear. The structural difference of 1 and 2 indicates a temperature-dependence of the formation of two complexes. 3 Is a 20 polymer with a (6,3) network constructed by a novel asymmetrical pentanuclear Cd clusters with bridging hydroxyl and carboxylate groups as secondary building units, which have never been employed before in the construction of 2D networks. 4 Is a dinuclear compound with a structure similar to that of 1. Complex 5 exhibits a zigzag chain structure bridged by L4- ligand. A variety of coordination modes of the H4L, ligand were found, some of them are unprecedented for these type of compounds. The fluorescence properties of the compounds were studied, and strong fluorescent emissions were observed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.042
• 作为产物：
  描述：

  [1,1’-联萘]-2,2’-二胺 、 溴乙酸乙酯 在 potassium carbonate 、 potassium iodide 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以54%的产率得到tetraethyl 2,2',2'',2'''-([1,1'-binaphthalene]-2,2'-diylbis(azanetriyl))tetraacetate
  参考文献：
  名称：

  Syntheses, structures, and fluorescence properties of cadmium(II) and zinc(II) complexes based on 1,1′-binaphthalenyl-2,2′-diamine-N,N,N′,N′-tetraacetic acid

  摘要：

  Solvothermal reaction of Cd(II)/Zn(II) salts with 1,1'-binaphthaleny1-2,2'-diamine-N,N,N',N'-tetraacetic acid (H4L) ligand results in the formation of five interesting complexes [Cd-2(L)(phen)(2)(H2O)]center dot 2H(2)O (1), [Cd-4(L)(2)(phen)(2)(H2O)7]center dot CH3OH center dot 10H(2)O (2), ([Cd-5(L)(2)(H2O)(3)(OH)(2)]center dot H2O)n (3), [Zn-2(L)(phen)(2)(H2O)]center dot 2H(2)O (4) and {[Zn-2(L)(H2O)(4)]center dot 2.25H(2)O}(n) (5), where phen = 1,10-phenanthroline. The structure of 1 is dinuclear, and that of 2 is tetranuclear. The structural difference of 1 and 2 indicates a temperature-dependence of the formation of two complexes. 3 Is a 20 polymer with a (6,3) network constructed by a novel asymmetrical pentanuclear Cd clusters with bridging hydroxyl and carboxylate groups as secondary building units, which have never been employed before in the construction of 2D networks. 4 Is a dinuclear compound with a structure similar to that of 1. Complex 5 exhibits a zigzag chain structure bridged by L4- ligand. A variety of coordination modes of the H4L, ligand were found, some of them are unprecedented for these type of compounds. The fluorescence properties of the compounds were studied, and strong fluorescent emissions were observed. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.042