Tert-butyl 2-[[1-[2-amino-3-[4-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]triazol-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate | 1018831-96-3

• 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: Tert-butyl 2-[[1-[2-amino-3-[4-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]triazol-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
• 英文别名: tert-butyl 2-[[1-[2-amino-3-[4-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]triazol-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
• CAS: 1018831-96-3
• 化学式: C₃₃H₅₇N₉O₈
• 分子量: 707.871
• InChiKey: RHQZMSDUYBRRRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  50
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  199
• 氢给体数：
  1
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-[[1-[2-amino-3-[4-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]triazol-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate 在 三氟乙酸 作用下， 以90%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：

  2-azido-1-azidomethyl ethylamine 、 di-tert-butyl 2,2-(prop-2-yn-1-ylazanediyl)diacetate 在 copper diacetate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 以60%的产率得到Tert-butyl 2-[[1-[2-amino-3-[4-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]triazol-4-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
  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