dtpa-N,N''-bis(p-ethoxyphenylamide)

• 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: dtpa-N,N''-bis(p-ethoxyphenylamide)
• 英文别名: 2-[Bis[2-[carboxymethyl-[2-(4-ethoxyanilino)-2-oxoethyl]amino]ethyl]amino]acetic acid
• 化学式: C₃₀H₄₁N₅O₁₀
• 分子量: 631.683
• InChiKey: DYGIPHBEKIOSCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  45
• 可旋转键数：
  22
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  198
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  lutetium(III) chloride hexahydrate 、 dtpa-N,N''-bis(p-ethoxyphenylamide) 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 12.0h， 以44%的产率得到[Lu^III{dtpa-N,N''-bis(p-ethoxyphenylamide)}]
  参考文献：
  名称：

  Synthesis and Characterization of Ga ^III , In ^III and Lu ^III Complexes of a Set of dtpa Bis‐Amide Ligands

  摘要：

  AbstractThe synthesis and characterization of five new diethylenetriaminepentaacetic acid (dtpa) ligands, (dtpa)‐N,N″‐bis(alkoxyphenylamide), and their complexation with GaIII, InIII and LuIII are reported. The procedures for the synthesis of all complexes in aqueous media are described as well as a synthetic pathway for the preparation of GaIII complexes in chloroform. All substances were characterized by NMR spectroscopy, mass spectrometry, elemental analysis and HPLC. Single‐crystal structure analysis was performed where applicable, which revealed the presence of hepta‐ and octa‐coordinated isomers for InIII complexes and a nine‐fold coordination of LuIII ions in the solid state. Additional NMR experiments suggested a hepta‐coordinated InIII species in solution, whereas the GaIII complexes appear to be hexa‐coordinated and the LuIII complexes to be octa‐coordinated. Both NMR and HPLC studies indicated the presence of a single isomer in every complex.

  DOI：

  10.1002/ejic.201500436
• 作为产物：
  描述：

  二乙烯三胺五醋酸 在 吡啶 、 乙酸酐 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 dtpa-N,N''-bis(p-ethoxyphenylamide)
  参考文献：
  名称：

  Synthesis and Characterization of Ga ^III , In ^III and Lu ^III Complexes of a Set of dtpa Bis‐Amide Ligands

  摘要：

  AbstractThe synthesis and characterization of five new diethylenetriaminepentaacetic acid (dtpa) ligands, (dtpa)‐N,N″‐bis(alkoxyphenylamide), and their complexation with GaIII, InIII and LuIII are reported. The procedures for the synthesis of all complexes in aqueous media are described as well as a synthetic pathway for the preparation of GaIII complexes in chloroform. All substances were characterized by NMR spectroscopy, mass spectrometry, elemental analysis and HPLC. Single‐crystal structure analysis was performed where applicable, which revealed the presence of hepta‐ and octa‐coordinated isomers for InIII complexes and a nine‐fold coordination of LuIII ions in the solid state. Additional NMR experiments suggested a hepta‐coordinated InIII species in solution, whereas the GaIII complexes appear to be hexa‐coordinated and the LuIII complexes to be octa‐coordinated. Both NMR and HPLC studies indicated the presence of a single isomer in every complex.

  DOI：

  10.1002/ejic.201500436

文献信息

• Synthesis and Characterization of Ga ^III , In ^III and Lu ^III Complexes of a Set of dtpa Bis‐Amide Ligands
  作者：Julia Greiser、Tino Hagemann、Tobias Niksch、Philipp Traber、Stephan Kupfer、Stefanie Gräfe、Helmar Görls、Wolfgang Weigand、Martin Freesmeyer

  DOI：10.1002/ejic.201500436

  日期：2015.8

  AbstractThe synthesis and characterization of five new diethylenetriaminepentaacetic acid (dtpa) ligands, (dtpa)‐N,N″‐bis(alkoxyphenylamide), and their complexation with GaIII, InIII and LuIII are reported. The procedures for the synthesis of all complexes in aqueous media are described as well as a synthetic pathway for the preparation of GaIII complexes in chloroform. All substances were characterized by NMR spectroscopy, mass spectrometry, elemental analysis and HPLC. Single‐crystal structure analysis was performed where applicable, which revealed the presence of hepta‐ and octa‐coordinated isomers for InIII complexes and a nine‐fold coordination of LuIII ions in the solid state. Additional NMR experiments suggested a hepta‐coordinated InIII species in solution, whereas the GaIII complexes appear to be hexa‐coordinated and the LuIII complexes to be octa‐coordinated. Both NMR and HPLC studies indicated the presence of a single isomer in every complex.