3-(furan-2-yl)-4,5,6,7-tetrahydro-1-methyl-1H-indazole | 1141935-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(furan-2-yl)-4,5,6,7-tetrahydro-1-methyl-1H-indazole
• 英文别名: 3-(Furan-2-yl)-1-methyl-4,5,6,7-tetrahydroindazole
• CAS: 1141935-49-0
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: OOVVKRRJORJJMY-UHFFFAOYSA-N

物化性质

• 沸点：
  353.8±42.0 °C(predicted)
• 密度：
  1.25±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-2-(furan-2-ylmethylene)cyclohexanone 、 甲基肼 以 异丙醇 为溶剂， 以25.9%的产率得到3-(furan-2-yl)-3,3a,4,5,6,7-hexahydro-2-methyl-2H-indazole
  参考文献：
  名称：

  Synthesis of hydrogenated indazole derivatives starting with α,β-unsaturated ketones and hydrazine derivatives

  摘要：

  The reaction of hydrazine derivatives with alpha,beta-unsaturated ketones, such as cyclohexenyl(phenyl) methanone and (E)-2-benzylidenecyclohexanone, were investigated.The reaction between methylhydrazine and e.g., cyclohexenyl(phenyl)methanone was particularly interesting as 3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole was obtained as the major product together with 4,5,6,7-tetrahydro-2-methyl-3-phenyl-2H-indazole as a minor product. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.01.041