2',5-dioxo-1,4,5,6-tetrahydrospiro[azepino[4,3,2-cd]indole-3,3'-indoline]-5'-carbonitrile | 1529793-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2',5-dioxo-1,4,5,6-tetrahydrospiro[azepino[4,3,2-cd]indole-3,3'-indoline]-5'-carbonitrile
• 英文别名: 2,10'-dioxospiro[1H-indole-3,12'-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene]-5-carbonitrile
• CAS: 1529793-74-5
• 化学式: C₁₉H₁₂N₄O₂
• 分子量: 328.33
• InChiKey: UNMUZGQGPFQQCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  97.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氨基吲哚 、 丙二酸环(亚)异丙酯 、 2,3-二氧代-2,3-二氢-1H-吲哚-5-甲腈 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以64%的产率得到2',5-dioxo-1,4,5,6-tetrahydrospiro[azepino[4,3,2-cd]indole-3,3'-indoline]-5'-carbonitrile
  参考文献：
  名称：

  An efficient synthesis of 4,6-dihydrospiro[azepino[4,3,2-cd]indole-3,3′-indoline]-2′,5(1H)-diones via multi-component reaction

  摘要：

  A facile and efficient one-pot three-component synthesis of spiroazepinoindolones has been developed. Using DMF as solvent without any additional acid or metal catalysts, the three-component reaction of readily available isatins, indolamines, and Meldrum's acid affords a new class of spiroheterocycles in moderate yield. (C) 2013 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2013.12.010

文献信息

• An efficient synthesis of 4,6-dihydrospiro[azepino[4,3,2-cd]indole-3,3′-indoline]-2′,5(1H)-diones via multi-component reaction
  作者：Bin Zou、Chun Chen、Seh Yong Leong、Mei Ding、Paul W. Smith

  DOI：10.1016/j.tet.2013.12.010

  日期：2014.1

  A facile and efficient one-pot three-component synthesis of spiroazepinoindolones has been developed. Using DMF as solvent without any additional acid or metal catalysts, the three-component reaction of readily available isatins, indolamines, and Meldrum's acid affords a new class of spiroheterocycles in moderate yield. (C) 2013 Published by Elsevier Ltd.