2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl)pyridine | 1121657-06-4

• 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: 2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl)pyridine
• 英文别名: 2-[1-(Pyridin-3-ylmethyl)imidazol-2-yl]pyridine
• CAS: 1121657-06-4
• 化学式: C₁₄H₁₂N₄
• 分子量: 236.276
• InChiKey: WZXGUWHQODGEQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  copper(ll) sulfate pentahydrate 、 hexaammonium heptamolybdate tetrahydrate 、 2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl)pyridine 以 水 为溶剂， 以61%的产率得到Cu2(2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl)pyridine+H)4(Mo8O26)2
  参考文献：
  名称：

  Construction of a series of 0D, 2D and 3D inorganic–organic hybrid coordination polymers based on octamolybdate and 2-(2-pyridyl)imidazole and its derivative

  摘要：

  Four octamolybdate-based compounds, that is, Cu-2(II)(L-1)(4)(Mo8O26) (1), Cu-2(II)(HL2)(4)(Mo8O26)(2) (2), [(CuL2)-L-II (H2O)(Mo8O26)(0.5)]center dot 2H(2)O (3) and [(CuL2)-L-II(H2O)(Mo8O26)(0.5)]center dot 2H(2)O (4) (L-1 = 2-(2-pyridyl) imidazole, L-2 = 2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl) pyridine), have been hydrothermally synthesized via changing the reaction conditions and structurally characterized by single-crystal X-ray diffraction. With L-1 ligand, we obtained compound 1, which is a 0D molecule and extends to a 3D supramolecular structure via hydrogen-bonding interactions. By using L-2 instead of L-1 ligand, compound 2 comes into being which is as well a discrete molecule and further extended to a 3D supramolecular structure by hydrogen bonds. Intriguingly, compounds 3 and 4 are supramolecular isomers: the former is a 2D 4-connected network and the latter is a 3D (3,4)-connected framework. The measurements of diffuse reflectance for compounds 1-4 indicate that they are potential wide gap semiconductors. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.036
• 作为产物：
  描述：

  3-氯甲基吡啶盐酸盐 、 2-(咪唑-2-基)吡啶 在 sodium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 以58%的产率得到2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl)pyridine
  参考文献：
  名称：

  Construction of a series of 0D, 2D and 3D inorganic–organic hybrid coordination polymers based on octamolybdate and 2-(2-pyridyl)imidazole and its derivative

  摘要：

  Four octamolybdate-based compounds, that is, Cu-2(II)(L-1)(4)(Mo8O26) (1), Cu-2(II)(HL2)(4)(Mo8O26)(2) (2), [(CuL2)-L-II (H2O)(Mo8O26)(0.5)]center dot 2H(2)O (3) and [(CuL2)-L-II(H2O)(Mo8O26)(0.5)]center dot 2H(2)O (4) (L-1 = 2-(2-pyridyl) imidazole, L-2 = 2-(1-(pyridine-3-ylmethyl)-1H-imidazol-2-yl) pyridine), have been hydrothermally synthesized via changing the reaction conditions and structurally characterized by single-crystal X-ray diffraction. With L-1 ligand, we obtained compound 1, which is a 0D molecule and extends to a 3D supramolecular structure via hydrogen-bonding interactions. By using L-2 instead of L-1 ligand, compound 2 comes into being which is as well a discrete molecule and further extended to a 3D supramolecular structure by hydrogen bonds. Intriguingly, compounds 3 and 4 are supramolecular isomers: the former is a 2D 4-connected network and the latter is a 3D (3,4)-connected framework. The measurements of diffuse reflectance for compounds 1-4 indicate that they are potential wide gap semiconductors. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.09.036