5,6,7,8-tetrahydrobenzo[c][1,2,3]triazolo[1,5-a]azocine | 1429337-86-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5,6,7,8-tetrahydrobenzo[c][1,2,3]triazolo[1,5-a]azocine
• 英文别名: 4,5,6-Triazatricyclo[9.4.0.02,6]pentadeca-1(15),2,4,11,13-pentaene；4,5,6-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2,4,11,13-pentaene
• CAS: 1429337-86-9
• 化学式: C₁₂H₁₃N₃
• 分子量: 199.255
• InChiKey: KADMXASCTOJBER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(4-azidobutyl)-2-iodobenzene 在 copper(l) iodide 、 四丁基溴化铵 、 palladium diacetate 、 碳酸氢钠 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 5,6,7,8-tetrahydrobenzo[c][1,2,3]triazolo[1,5-a]azocine
  参考文献：
  名称：

  Facile Synthesis of [1,2,3]-Triazole-Fused Isoindolines, Tetrahydroisoquino­lines, Benzoazepines and Benzoazocines by Palladium-Copper Catalysed Heterocyclisation­

  摘要：

  An elegant method for the synthesis of 1,2,3-triazoles fused with five-, six-, seven- and eight-membered benzoheterocycles, including isoindoline, tetrahydroisoquinoline, benzoazepine and benzoazocine, has been developed via palladium-copper catalysed reactions in one-pot. The broad scope of this reaction was illustrated by effecting bis-heteroannulations, synthesis of uracil derivatives of biological interest, and employment of acetylene gas as an inexpensive substrate. The reactions are experimentally simple and utilise easily accessible substrates of different types.

  DOI：

  10.1055/s-0032-1316839

文献信息

• Facile Synthesis of [1,2,3]-Triazole-Fused Isoindolines, Tetrahydroisoquino­lines, Benzoazepines and Benzoazocines by Palladium-Copper Catalysed Heterocyclisation­
  作者：Chinmay Chowdhury、Kaushik Brahma、Basudeb Achari

  DOI：10.1055/s-0032-1316839

  日期：——

  An elegant method for the synthesis of 1,2,3-triazoles fused with five-, six-, seven- and eight-membered benzoheterocycles, including isoindoline, tetrahydroisoquinoline, benzoazepine and benzoazocine, has been developed via palladium-copper catalysed reactions in one-pot. The broad scope of this reaction was illustrated by effecting bis-heteroannulations, synthesis of uracil derivatives of biological interest, and employment of acetylene gas as an inexpensive substrate. The reactions are experimentally simple and utilise easily accessible substrates of different types.