4-methyl-1,3-diphenyl-1H-indazole | 1236203-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-methyl-1,3-diphenyl-1H-indazole
• 英文别名: 4-Methyl-1,3-diphenylindazole；4-methyl-1,3-diphenylindazole
• CAS: 1236203-17-0
• 化学式: C₂₀H₁₆N₂
• 分子量: 284.36
• InChiKey: AKSNCUZZVLKFJV-UHFFFAOYSA-N

物化性质

• 沸点：
  411.3±38.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  在 氧气 作用下， 以 邻二氯苯 为溶剂， 反应 3.0h， 以75%的产率得到1-phenyl-3-(o-tolyl)-1H-indazole
  参考文献：
  名称：

  An efficient transition-metal-free synthesis of 1H-indazoles from arylhydrazones with montmorillonite K-10 under O2 atmosphere

  摘要：

  An efficient transition-metal-free synthetic method of 1H-indazoles has been developed. The reaction of arylhydrazones in the presence of montmorillonite K-10 in 1,2-dichlorobenzene at 130 degrees C afforded 1Hindazoles in good yields most likely via a sequential intramolecular nucleophilic cyclization and an aerobic oxidation pathway. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2015.01.183

文献信息

• New Synthesis of 1-Substituted-1<i>H</i>-indazoles via 1,3-Dipolar Cycloaddition of <i>in situ</i> Generated Nitrile Imines and Benzyne
  作者：Christian Spiteri、Steve Keeling、John E. Moses

  DOI：10.1021/ol101150t

  日期：2010.8.6

  A new synthesis of 1-substitued-1H-indazoles via 1,3-dipolar cycloaddition of nitrile imines to benzyne is described. The reaction is completed within 5 min, affording the corresponding N(1)−C(3) disubstituted indazoles in moderate to excellent yields.

  描述了通过腈亚胺的1，3-偶极环加成反应生成苯并炔的1-取代-1 H-吲唑的新合成方法。反应在5分钟内完成，以中等至极好的收率得到相应的N（1）-C（3）二取代的吲唑。
• An efficient transition-metal-free synthesis of 1H-indazoles from arylhydrazones with montmorillonite K-10 under O2 atmosphere
  作者：Jin Yu、Jin Woo Lim、Su Yeon Kim、Jimin Kim、Jae Nyoung Kim

  DOI：10.1016/j.tetlet.2015.01.183

  日期：2015.3

  An efficient transition-metal-free synthetic method of 1H-indazoles has been developed. The reaction of arylhydrazones in the presence of montmorillonite K-10 in 1,2-dichlorobenzene at 130 degrees C afforded 1Hindazoles in good yields most likely via a sequential intramolecular nucleophilic cyclization and an aerobic oxidation pathway. (C) 2015 Elsevier Ltd. All rights reserved.