5'-nitro-4,6-dihydrospiro[azepino[4,3,2-cd]indole-3,3'-indoline]-2',5(1H)-dione | 1529793-72-3

• 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: 5'-nitro-4,6-dihydrospiro[azepino[4,3,2-cd]indole-3,3'-indoline]-2',5(1H)-dione
• 英文别名: 5-nitrospiro[1H-indole-3,12'-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene]-2,10'-dione
• CAS: 1529793-72-3
• 化学式: C₁₈H₁₂N₄O₄
• 分子量: 348.318
• InChiKey: OJOSFGUWPVBKGN-UHFFFAOYSA-N

物化性质

• 熔点：
  361-363 °C
• 沸点：
  765.2±60.0 °C(predicted)
• 密度：
  1.64±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  26
• 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：
  120
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氨基吲哚 、 丙二酸环(亚)异丙酯 、 5-硝基靛红 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以63%的产率得到5'-nitro-4,6-dihydrospiro[azepino[4,3,2-cd]indole-3,3'-indoline]-2',5(1H)-dione
  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.