| 1392231-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1392231-55-8
• 化学式: C₁₄H₁₀N₆
• 分子量: 262.274
• InChiKey: RJSNSXCHSLRRAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.47
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  苯乙炔 、 1,4-二叠氮基苯 在 copper(l) iodide 、 三乙胺 作用下， 以 甲醇 、 水 为溶剂， 以1.477 g的产率得到
  参考文献：
  名称：

  Di-Mesoionic Carbene-Bridged Complexes of Rh₂, Ir₂, and RhIr: A Stepwise Metalation Strategy for the Synthesis of di-MIC-Bridged Mixed-Metal Systems

  摘要：

  A meta-substituted benzene-bridged ditriazolium salt has been prepared using copper-catalyzed azide-alkyne cycloaddition (CuAAC or "click" chemistry) and methylation protocols. Metalation of this dicationic species by basic-ligand-containing [Rh(mu-OMe)(COD)](2) and [Ir(mu-OMe)(COD)](2) precursors provides homobimetallic complexes of Rh and Jr bridged by a 1,2,3-triazol-5-ylidene-type di-mesoionic carbene (di-MIC) via an "internal-base" strategy. By using only 1/2 equiv of the internal-base precursor, mononuclear MIC-anchored/pendent-triazolium intermediates have been isolated, in which only one end of the ditriazolium salt has been deprotonated and attached to Rh or Jr. Reaction of these pendent intermediates with another 1/2 equiv of an internal-base precursor affords either the aforementioned homobimetallic products or an analogous di-MIC-bridged, mixed-metal Ir/Rh complex.

  DOI：

  10.1021/om300423z