(E)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-cyclohexanone | 1141935-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: (E)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-cyclohexanone
• 英文别名: (2E)-2-[(1-methylpyrrol-2-yl)methylidene]cyclohexan-1-one
• CAS: 1141935-44-5
• 化学式: C₁₂H₁₅NO
• 分子量: 189.257
• InChiKey: GNLVGRZFMJIEBO-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (E)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-cyclohexanone 、 甲基肼 以 异丙醇 为溶剂， 以54.9%的产率得到3,3a,4,5,6,7-hexahydro-2-methyl-3-(1-methyl-1H-pyrrol-2-yl)-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
• 作为产物：
  描述：

  N-甲基-2-吡咯甲醛 、 环己酮 在 sodium hydroxide 作用下， 以 水 为溶剂， 以42.3%的产率得到(E)-2-((1-methyl-1H-pyrrol-2-yl)methylene)-cyclohexanone
  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