1-(1-Hexyltriazol-4-yl)indazole | 1356449-64-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1-(1-Hexyltriazol-4-yl)indazole
• 英文别名: 1-(1-hexyltriazol-4-yl)indazole
• CAS: 1356449-64-3
• 化学式: C₁₅H₁₉N₅
• 分子量: 269.349
• InChiKey: KRFLYSNMVFZFJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  48.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 1-(1-Hexyltriazol-4-yl)indazole 以 二氯甲烷 为溶剂， 以65%的产率得到
  参考文献：
  名称：

  Triazoles from N-Alkynylheterocycles and Their Coordination to Iridium

  摘要：

  N-alkynylheterocycles (benzimidazole and indazole) are converted to triazoles by click chemistry, and the resulting triazoles react with [IrCl2Cp*](2). The benzimidazole-triazole coordinates in a monodentate fashion through the benzimidazole, whereas the indazole-triazole is bidentate through coordination of both heterocycles. Reaction of the benzimidazole-triazole with methyliodide gives a benzimidazolium salt that deprotonates on coordination to afford a rare example of a bidentate NHC-triazole.

  DOI：

  10.1021/om201157g
• 作为产物：
  描述：

  1-((triisopropylsilyl)ethynyl)-1H-indazole 在 copper(ll) sulfate pentahydrate 、 sodium L-ascorbate 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.58h， 生成 1-(1-Hexyltriazol-4-yl)indazole
  参考文献：
  名称：

  Triazoles from N-Alkynylheterocycles and Their Coordination to Iridium

  摘要：

  N-alkynylheterocycles (benzimidazole and indazole) are converted to triazoles by click chemistry, and the resulting triazoles react with [IrCl2Cp*](2). The benzimidazole-triazole coordinates in a monodentate fashion through the benzimidazole, whereas the indazole-triazole is bidentate through coordination of both heterocycles. Reaction of the benzimidazole-triazole with methyliodide gives a benzimidazolium salt that deprotonates on coordination to afford a rare example of a bidentate NHC-triazole.

  DOI：

  10.1021/om201157g

文献信息

• Triazoles from N-Alkynylheterocycles and Their Coordination to Iridium
  作者：Glenn A. Burley、Youcef Boutadla、David L. Davies、Kuldip Singh

  DOI：10.1021/om201157g

  日期：2012.2.13

  N-alkynylheterocycles (benzimidazole and indazole) are converted to triazoles by click chemistry, and the resulting triazoles react with [IrCl2Cp*](2). The benzimidazole-triazole coordinates in a monodentate fashion through the benzimidazole, whereas the indazole-triazole is bidentate through coordination of both heterocycles. Reaction of the benzimidazole-triazole with methyliodide gives a benzimidazolium salt that deprotonates on coordination to afford a rare example of a bidentate NHC-triazole.