N,N''-ethylene-1,2-diylbis(N'-pyridin-3-ylurea) | 938163-96-3

• 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''-ethylene-1,2-diylbis(N'-pyridin-3-ylurea)
• 英文别名: N,N′-bis-(3-pyridyl)ethylene-bis-urea；ethylene di(m-pyridylurea)；ethylenedi(m-pyridylurea)；1-Pyridin-3-yl-3-[2-(pyridin-3-ylcarbamoylamino)ethyl]urea
• CAS: 938163-96-3
• 化学式: C₁₄H₁₆N₆O₂
• 分子量: 300.32
• InChiKey: FNPMYEOJGYLPSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 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：

  N,N''-ethylene-1,2-diylbis(N'-pyridin-3-ylurea) 、 silver(I) acetate 以 乙醇 、 水 为溶剂， 以39%的产率得到[Ag(N,N''-ethylene-1,2-diylbis(N'-pyridin-3-ylurea)(acetate)*4H2O]n
  参考文献：
  名称：

  Metal-induced gelation in dipyridyl ureas

  摘要：

  一系列吡啶基双（脲）配体在金属离子（金属凝胶），尤其是铜（II）和银（I）的存在下形成超分子凝胶。通过流变仪和扫描电子显微镜对凝胶进行了表征，并研究了金属离子对凝胶强度和形态的影响。金属诱导的凝胶化与脲-脲和脲-吡啶基氢键相互作用之间的竞争有关。从这些凝胶中生长出来的晶体揭示了这些系统的大量结构信息，这些信息可通过其异凝胶的粉末 X 射线衍射数据与凝胶结构联系起来。

  DOI：

  10.1039/c0nj00278j
• 作为产物：
  描述：

  乙二胺 、 nicotinoyl azide 以 苯 为溶剂， 反应 0.25h， 以94%的产率得到N,N''-ethylene-1,2-diylbis(N'-pyridin-3-ylurea)
  参考文献：
  名称：

  Sulfate separation by selective crystallization of a urea-functionalized metal–organic framework

  摘要：

  将 SO42â封装到脲阴离子结合基团官能化的镍配位框架中，可以从竞争激烈的水环境中选择性地分离出这种强亲水性阴离子。

  DOI：

  10.1039/b616761f

文献信息

• 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
  作者：Subhabrata Banerjee、Dhurjati Prasad Kumar、Sabyasachi Bandyopadhay、N. N. Adarsh、Parthasarathi Dastidar

  DOI：10.1021/cg3011037

  日期：2012.11.7

  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.
• A “Compartmental” Borromean Weave Coordination Polymer Exhibiting Saturated Hydrogen Bonding to Anions and Water Cluster Inclusion
  作者：Peter Byrne、Gareth O. Lloyd、Nigel Clarke、Jonathan W. Steed

  DOI：10.1002/anie.200801556

  日期：2008.7.21