8-ethyl-12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H,8H)-dione | 864463-40-1

• 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: 8-ethyl-12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H,8H)-dione
• 英文别名: 7-Ethyl-4,7,15-triazapentacyclo[12.7.0.02,6.08,13.016,21]henicosa-2(6),8,10,12,16,18,20-heptaene-3,5-dione
• CAS: 864463-40-1
• 化学式: C₂₀H₁₇N₃O₂
• 分子量: 331.374
• InChiKey: CKZAETMICBXJHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-ethyl-12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H,8H)-dione 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙酸乙酯 为溶剂， 反应 3.0h， 以80%的产率得到8-ethyl-8,13-dihydro-5H-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H)-dione
  参考文献：
  名称：

  Synthesis of 4-substituted 3-(indol-3-yl)maleimides and azepines with annelated indole and maleimide nuclei

  摘要：

  A series of 4-substituted 3-(indole-3-yl)maleimides has been synthesized. Upon the action of CH3SO3H in TFA, the 3-(indole-3-yl)-4-(arylalkylamino)-maleimides undergo cyclization to give 12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H, 8H)-dione derivatives. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.06.027
• 作为产物：
  描述：

  吲哚-3-乙醛酸甲酯 在 甲烷磺酸 、 potassium tert-butylate 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 8-ethyl-12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H,8H)-dione
  参考文献：
  名称：

  Synthesis of 4-substituted 3-(indol-3-yl)maleimides and azepines with annelated indole and maleimide nuclei

  摘要：

  A series of 4-substituted 3-(indole-3-yl)maleimides has been synthesized. Upon the action of CH3SO3H in TFA, the 3-(indole-3-yl)-4-(arylalkylamino)-maleimides undergo cyclization to give 12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H, 8H)-dione derivatives. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.06.027

文献信息

• Synthesis of 4-substituted 3-(indol-3-yl)maleimides and azepines with annelated indole and maleimide nuclei
  作者：Sergey A. Lakatosh、Yuri N. Luzikov、Maria N. Preobrazhenskaya

  DOI：10.1016/j.tet.2005.06.027

  日期：2005.8

  A series of 4-substituted 3-(indole-3-yl)maleimides has been synthesized. Upon the action of CH3SO3H in TFA, the 3-(indole-3-yl)-4-(arylalkylamino)-maleimides undergo cyclization to give 12b,13-dihydro-4bH-indolo[3,2-d]pyrrolo[3,4-b][1]benzazepine-5,7(6H, 8H)-dione derivatives. (c) 2005 Elsevier Ltd. All rights reserved.