6-[(8-Hydroxyquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione | 344788-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-[(8-Hydroxyquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione
• CAS: 344788-68-7
• 化学式: C₂₀H₂₇N₅O₃
• 分子量: 385.466
• InChiKey: INDPLHMIYDTYBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  115
• 氢给体数：
  5
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  水 、 copper diacetate 、 6-[(8-Hydroxyquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione 以 甲醇 、 水 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  Studies on the synthesis and properties of bischelating dio×otetraamine macrocycle, its metal comple×es and thermodynamic stability in aqueous solution

  摘要：

  A new route to obtain C-functionalized dioxotetraamine, in which two independent chelating groups 8-quinolinol and dioxotetraamine are included, is described. In addition, two trinuclear metal complexes are synthesized and fully characterized. The thermodynamic properties of the ligand and its respective metal complex were investigated by a potentiometric titration method. Coupled with UV spectra, the difference in affinities for copper ion between dioxotetraamine and 8-quinolinol in the new ligand are investigated and the results show that 8-quinolinol is a stronger donor group than the dioxotetraamine macrocycle in an aqueous solution. Over pH 3 similar to 11, 8-quinolinol interacts 100% with the copper ions while dioxotetraamine is only partially coordinated.

  DOI：

  10.1139/cjc-79-2-221
• 作为产物：
  描述：

  5-(氯甲基)-8-羟基喹啉盐酸盐 在 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 336072.0h， 生成 6-[(8-Hydroxyquinolin-5-yl)methyl]-1,4,8,11-tetrazacyclotetradecane-5,7-dione
  参考文献：
  名称：

  Studies on the synthesis and properties of bischelating dio×otetraamine macrocycle, its metal comple×es and thermodynamic stability in aqueous solution

  摘要：

  A new route to obtain C-functionalized dioxotetraamine, in which two independent chelating groups 8-quinolinol and dioxotetraamine are included, is described. In addition, two trinuclear metal complexes are synthesized and fully characterized. The thermodynamic properties of the ligand and its respective metal complex were investigated by a potentiometric titration method. Coupled with UV spectra, the difference in affinities for copper ion between dioxotetraamine and 8-quinolinol in the new ligand are investigated and the results show that 8-quinolinol is a stronger donor group than the dioxotetraamine macrocycle in an aqueous solution. Over pH 3 similar to 11, 8-quinolinol interacts 100% with the copper ions while dioxotetraamine is only partially coordinated.

  DOI：

  10.1139/cjc-79-2-221

文献信息

• Su; Lin; Zhu, Polish Journal of Chemistry, 2001, vol. 75, # 5, p. 623 - 632
  作者：Su、Lin、Zhu、Sun、Zhao、Chen

  DOI：——

  日期：——
• Studies on the synthesis and properties of bischelating dio×otetraamine macrocycle, its metal comple×es and thermodynamic stability in aqueous solution
  作者：Xun-Cheng Su、Zhi-Fen Zhou、Hua-Kuan Lin、Shou-Rong Zhu、Hong-Wei Sun、Guang-Hua Zhao、Yun-Ti Chen

  DOI：10.1139/cjc-79-2-221

  日期：——

  A new route to obtain C-functionalized dioxotetraamine, in which two independent chelating groups 8-quinolinol and dioxotetraamine are included, is described. In addition, two trinuclear metal complexes are synthesized and fully characterized. The thermodynamic properties of the ligand and its respective metal complex were investigated by a potentiometric titration method. Coupled with UV spectra, the difference in affinities for copper ion between dioxotetraamine and 8-quinolinol in the new ligand are investigated and the results show that 8-quinolinol is a stronger donor group than the dioxotetraamine macrocycle in an aqueous solution. Over pH 3 similar to 11, 8-quinolinol interacts 100% with the copper ions while dioxotetraamine is only partially coordinated.