3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole | 344562-45-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole
• 英文别名: 1-Methyl-3-phenyl-3a,4,5,6,7,7a-hexahydroindazole
• CAS: 344562-45-4
• 化学式: C₁₄H₁₈N₂
• 分子量: 214.31
• InChiKey: VDONJQJLQICTHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-indazole 在 四氯苯醌 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到4,5,6,7-tetrahydro-1-methyl-3-phenyl-1H-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
• 作为产物：
  描述：

  1-环己烯基-苯基-甲酮 、 甲基肼 以 异丙醇 为溶剂， 以46%的产率得到3a,4,5,6,7,7a-hexahydro-1-methyl-3-phenyl-1H-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

文献信息

• FLIEGE, W.;GRASHEY, R.;HUISGEN, R., CHEM. BER., 1984, 117, N 3, 1194-1214
  作者：FLIEGE, W.、GRASHEY, R.、HUISGEN, R.

  DOI：——

  日期：——