1,8-bis(1,4,7-triazacyclonon-1-yl)octane | 245486-21-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,8-bis(1,4,7-triazacyclonon-1-yl)octane
• 英文别名: 1-[8-(1,4,7-Triazonan-1-yl)octyl]-1,4,7-triazonane
• CAS: 245486-21-9
• 化学式: C₂₀H₄₄N₆
• 分子量: 368.61
• InChiKey: XCDOPYGMERWCCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  盐酸 、 copper(II) choride dihydrate 、 1,8-bis(1,4,7-triazacyclonon-1-yl)octane 以 水 为溶剂， 生成 [Cu2(1,8-bis(1,4,7-triazacyclonon-1-yl)octane)Cl4]*H2O
  参考文献：
  名称：

  Potentiometric and spectroscopic studies of copper(II) complexes of bis(1,4,7-triazacyclononane) ligands containing polymethylene and xylyl linker groups

  摘要：

  Copper(II) complexes of bis(1,4,7-triazacycloaonane) ligands with seven- and eight-membered polymethylene chains and xylyl bridging groups were studied in aqueous solution by pH potentiometry and UV-Vis spectroscopy. Equilibrium modeling of the data indicates that with all the ligands studied both 1:1 and 2:1 Cu(II)L complexes are stable. The Cu2L4+ complexes all have similar stability and appear to contain the same coordinative environment. The o-xylyl bridged complex forms a very stable monomeric complex (CuL2+) while the other ligands are likely to form oligomeric complexes (CuxLx2x+), which are less stable. The impact of ligand structure on the stoichiometry and stability of the complexes is discussed. The X-ray structure of the binuclear complex [Cu-2(EM8)Cl-4] was determined. The distorted square pyramidal coordination polyhedron is similar to that found with other copper(II) complexes of 1,4,7-triazacyclononane. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00186-3