N,N′-bis-(3-pyridyl)propylene-bis-urea | 39642-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N′-bis-(3-pyridyl)propylene-bis-urea
• 英文别名: 3,3'-di-pyridin-3-yl-1,1'-propane-1,3-diyl-bis-urea；1,3-Bis-<3-(pyrid-3-yl)ureido>propane；1-Pyridin-3-yl-3-[3-(pyridin-3-ylcarbamoylamino)propyl]urea；1-pyridin-3-yl-3-[3-(pyridin-3-ylcarbamoylamino)propyl]urea
• CAS: 39642-83-6
• 化学式: C₁₅H₁₈N₆O₂
• 分子量: 314.347
• InChiKey: YVQGYRZOAXOKHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  108
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  potassium succinate 、 copper(II) nitrate 、 N,N′-bis-(3-pyridyl)propylene-bis-urea 以 甲醇 、 乙醇 、 水 为溶剂， 反应 240.0h， 生成 [{Cu(μ-N,N′-bis-(3-pyridyl)propylene-bis-urea)(H₂O)(μ-succinate)}·3H₂O]_∞
  参考文献：
  名称：

  A New Series of Cu^II Coordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis

  摘要：

  A crystal engineering approach has been adopted in synthesizing six new mixed ligand based Cu-II coordination polymers (CPs) derived from two bis-pyridyl-bis-urea ligands, namely, N,N'-bis-(3-pyridyl)ethylene-bis-urea (L1) and N,N'-bis-(3-pyridyl)propylene-bis-urea (L2), and various dicarboxylates. The single crystal structures of the coordination polymers displayed diverse supramolecular architectures such as a one-dimensional (1D) chain, 1D-looped chain, and two-dimensional grid. Although none of them displayed an open framework structure, which is believed to be conducive for heterogeneous catalysis, almost all of them showed moderate to excellent epoxide ring opening catalysis. Powder X-ray. diffraction indicated structural changes/degradation of the CPs, which might be generating substrate accessible Cu-II species that presumably acted as the catalyst.

  DOI：

  10.1021/cg3011037