4-(4-hydroxyphenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile

• 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: 4-(4-hydroxyphenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile
• 化学式: C₂₅H₁₅N₅O
• 分子量: 401.427
• InChiKey: KBXNOUWEIKVYRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基吲唑 、 对羟基苯甲醛 、 3-(1H-吲哚-3-基)-3-氧丙腈 在 三乙胺 作用下， 以 乙醇 为溶剂， 以91%的产率得到4-(4-hydroxyphenyl)-2-(1H-indol-3-yl)pyrimido[1,2-b]indazole-3-carbonitrile
  参考文献：
  名称：

  An efficient metal-free cascade process for the synthesis of 4-arylpyrimido[1,2-b]indazole-3-carbonitrile derivatives

  摘要：

  An efficient metal-free cascade reaction to synthesize novel pyrimido[1,2-b]indazole-3-carbonitrile derivatives was reported. The reaction starts from aromatic aldehydes, 1H-indazol-3-amine (4-chloro-1Hindazol-3-amine), and 3-(1H-indol-3-yl)-3-oxopropanenitrile or 3-oxo-3-arylpro-panenitrile in the presence of ethanol and triethylamine under plain laboratory conditions. The reaction was easy to operate with good tolerance to substrates in high yield. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2017.07.035

文献信息

• An efficient metal-free cascade process for the synthesis of 4-arylpyrimido[1,2-b]indazole-3-carbonitrile derivatives
  作者：Lei Li、Hui Xu、Lei Dai、Junhua Xi、Lingli Gao、Liangce Rong

  DOI：10.1016/j.tet.2017.07.035

  日期：2017.9

  An efficient metal-free cascade reaction to synthesize novel pyrimido[1,2-b]indazole-3-carbonitrile derivatives was reported. The reaction starts from aromatic aldehydes, 1H-indazol-3-amine (4-chloro-1Hindazol-3-amine), and 3-(1H-indol-3-yl)-3-oxopropanenitrile or 3-oxo-3-arylpro-panenitrile in the presence of ethanol and triethylamine under plain laboratory conditions. The reaction was easy to operate with good tolerance to substrates in high yield. (C) 2017 Elsevier Ltd. All rights reserved.