2,5-二(吡嗪-2-基)-1,3,4-恶二唑 | 869339-14-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2,5-二(吡嗪-2-基)-1,3,4-恶二唑
• 英文名称: 2,5-bis(2-pyrazinyl)-1,3,4-oxadiazole
• 英文别名: 2,5-bis(pyrazinyl)-1,3,4-oxadiazole；2,5-bis(pyrazine)-1,3,4-oxadiazole；2,5-di(pyrazin-2-yl)-1,3,4-oxadiazole
• CAS: 869339-14-0
• 化学式: C₁₀H₆N₆O
• 分子量: 226.197
• InChiKey: HBKKHFUZKHQRRG-UHFFFAOYSA-N

物化性质

• 沸点：
  465.8±55.0 °C(Predicted)
• 密度：
  1.395±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,5-二(吡嗪-2-基)-1,3,4-恶二唑 在 zinc(II) sulfate heptahydrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以38%的产率得到N-(3,5-di-2-pyrazinyl-4H-1,2,4-triazol-4-yl)-2-pyrazinecarboxamide
  参考文献：
  名称：

  Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted Azole Derivatives: Controllability and Mechanism

  摘要：

  Under different solvothermal reaction conditions I (60 degrees C for 48 h) and II (140 degrees C for 72 h) the dipyrazinyl compounds beating oxadiazole and triazole spacers that is 2 5-bis(2-pyrazinyl)-1 3 4-oxadiazole (L-1) and 4-amino-3 5 bis(2-pyrazinyl)-1,2,4-triazole (L-2), may suffer reversible conversions in the presence of certain metal salts Other related derivatives such as 3,5-bis(2-pyrazinyl)-1,2 4-triazole 4-yl-N-pyrazinamide (HL4) and pyrazine-2-carboxylic acid (HL0) can also be (In situ) obtained from L-1 and L-2, respectively, under conditions I and II Beyond this N N'-bis(2 pyrazinoamide) (H2L3) can be in situ afforded from both precursors L-1 and L-2, and thus, may be considered as the potential intermediate during the interconversions The possible mechanisms and influence factors of these reactions have also been established based on the experimental results As a result, a variety of crystalline materials (co-crystals and coordination complexes) with attractive supramolecular architectures have been isolated by regulating the reaction conditions well (reaction temperature, metal ion, and even inorganic counteranion)

  DOI：

  10.1021/cg100200b
• 作为产物：
  描述：

  2-甲酸吡嗪 在 盐酸肼 、 磷酸 、 phosphorus pentoxide 作用下， 反应 4.0h， 以55%的产率得到2,5-二(吡嗪-2-基)-1,3,4-恶二唑
  参考文献：
  名称：

  溶剂诱导的银（I）配位聚合物的拓扑异构体的方向，以及一类PtS型主体骨架的选择性阴离子交换。

  摘要：

  基于设计良好的弯曲二吡嗪连接基，可以实现两种具有密切相关的4连接拓扑结构的配位聚合物的构建[PtS和lvt（4（2）.8（4））]，并且拓扑差异仅是由具有相同配位供体的银（I）配位球的立体化学。确定了一系列包含不同抗衡阴离子（从小的BF4-到非常大的SbF6-）的PtS型配位网络的选择性阴离子交换功能。

  DOI：

  10.1039/b508479b

文献信息

• Distinct CdII and CoII thiocyanate coordination complexes with 2,5-bis(pyrazinyl)-1,3,4-oxadiazole: Metal-directed assembly of a 1-D polymeric chain and a 3-D supramolecular network
  作者：Miao Du、Cheng-Peng Li、Jian-Hua Guo

  DOI：10.1016/j.ica.2006.02.039

  日期：2006.5

  The reactions of 2,5-bis(pyrazinyl)-1,3,4-oxadiazole (bpzo) with Cd-II or Coll salt in the presence of thiocyanate afford two distinct complexes, a 1-D coordination array [Cd(bpzo)(2)(SCN)(2)](n) (1) and a 3-D hydrogen-bonded supramolecular network [Co(bpzo)(2)(SCN)(2)(H2O)(2)](CH3CN)(2)(H2O)(2) (2). X-ray single-crystal structural determination reveals that the extended networks of complexes 1 and 2 are manipulated via different directional propagating forces. In 1, the adjacent Cd-II centers are bridged by a pair of mu(1,3)-SCN- anions to form a 1-D array, whereas in 2, the monomeric Coll coordination entities are hydrogen-bonded into a novel 3-D architecture in which the thiocyanate ions take the only N-binding mode. In both cases, bpzo behaves as monodentate terminals. These results indicate that the choice of metal ions does play a critical role in the supramolecular assembly. The structural and binding features of bpzo in all related compounds have also been discussed. (c) 2006 Elsevier B.V. All rights reserved.