[1-methyl-5-(1-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-1,2,3-triazol-4-yl](phenyl)methanone | 1429923-48-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [1-methyl-5-(1-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-1,2,3-triazol-4-yl](phenyl)methanone
• 英文别名: [1-Methyl-5-(1-methyl-4,5,6,7-tetrahydroindol-2-yl)triazol-4-yl]-phenylmethanone；[1-methyl-5-(1-methyl-4,5,6,7-tetrahydroindol-2-yl)triazol-4-yl]-phenylmethanone
• CAS: 1429923-48-7
• 化学式: C₁₉H₂₀N₄O
• 分子量: 320.394
• InChiKey: KGXVZTUUJBRUGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  52.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-phenyl-3-(1-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-2-propynone 、 碘甲烷 在 sodium azide 、 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 10.0h， 生成 [1-methyl-5-(1-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-1H-1,2,3-triazol-4-yl](phenyl)methanone 、 [2-methyl-5-(1-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)-2H-1,2,3-triazol-4-yl](phenyl)methanone
  参考文献：
  名称：

  Click Chemistry with 2-Ethynyl-4,5,6,7-tetrahydroindoles: Towards Functionalized Tetrahydroindole-Triazole Ensembles

  摘要：

  2-Ethynyl-4,5,6,7-tetrahydroindoles, readily available from 4,5,6,7-tetrahydroindoles and bromoacetylenes on K2CO3, when treated with sodium azide in DMSO, afford functionalized tetrahydroindole-triazoles ensembles. The reaction proceeds under mild conditions (room temperature) to give triazoles with acyl or ester moieties in quantitative yields.

  DOI：

  10.1055/s-0032-1318149

文献信息

• Click Chemistry with 2-Ethynyl-4,5,6,7-tetrahydroindoles: Towards Functionalized Tetrahydroindole-Triazole Ensembles
  作者：Boris Trofimov、Lyubov Sobenina、Denis Tomilin、Igor Ushakov、Albina Mikhaleva、J. Ma、G. Yang

  DOI：10.1055/s-0032-1318149

  日期：——

  2-Ethynyl-4,5,6,7-tetrahydroindoles, readily available from 4,5,6,7-tetrahydroindoles and bromoacetylenes on K2CO3, when treated with sodium azide in DMSO, afford functionalized tetrahydroindole-triazoles ensembles. The reaction proceeds under mild conditions (room temperature) to give triazoles with acyl or ester moieties in quantitative yields.