tetra-tert-butyl 2,2',2'',2'''-((((2-((tert-butoxycarbonyl)amino)propane-1,3-diyl)bis(1H-1,2,3-triazole-1,4-diyl))bis(methylene))bis(azanetriyl))tetraacetate | 1018831-91-8

• 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: tetra-tert-butyl 2,2',2'',2'''-((((2-((tert-butoxycarbonyl)amino)propane-1,3-diyl)bis(1H-1,2,3-triazole-1,4-diyl))bis(methylene))bis(azanetriyl))tetraacetate
• CAS: 1018831-91-8
• 化学式: C₃₈H₆₅N₉O₁₀
• 分子量: 807.988
• InChiKey: NIMDGXCWOJJZKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  57.0
• 可旋转键数：
  17.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  211.43
• 氢给体数：
  1.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  tetra-tert-butyl 2,2',2'',2'''-((((2-((tert-butoxycarbonyl)amino)propane-1,3-diyl)bis(1H-1,2,3-triazole-1,4-diyl))bis(methylene))bis(azanetriyl))tetraacetate 在 三氟乙酸 作用下， 以91%的产率得到
  参考文献：
  名称：

  Efficient and tunable synthesis of new polydentate bifunctional chelating agents using click chemistry

  摘要：

  Two novel bifunctional chelating agents, which are bistriazole-based polyaminocarboxylic acids, have been designed and synthesised in high yields. An elegant synthetic approach using the Cu-catalysed azide-alkyne cycloaddition has been developed. This convenient route could be employed for the synthesis of a variety of polydentate bifunctional chelators. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.086
• 作为产物：
  描述：

  di-tert-butyl 2,2-(prop-2-yn-1-ylazanediyl)diacetate 、 tert-butyl (1,3-diazidopropan-2-yl)carbamate 在 copper diacetate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以74%的产率得到tetra-tert-butyl 2,2',2'',2'''-((((2-((tert-butoxycarbonyl)amino)propane-1,3-diyl)bis(1H-1,2,3-triazole-1,4-diyl))bis(methylene))bis(azanetriyl))tetraacetate
  参考文献：
  名称：

  Efficient and tunable synthesis of new polydentate bifunctional chelating agents using click chemistry

  摘要：

  Two novel bifunctional chelating agents, which are bistriazole-based polyaminocarboxylic acids, have been designed and synthesised in high yields. An elegant synthetic approach using the Cu-catalysed azide-alkyne cycloaddition has been developed. This convenient route could be employed for the synthesis of a variety of polydentate bifunctional chelators. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.086