10,21-Diethyl-2,12-dimethyl-17-nitro-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-20-one | 1262204-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 10,21-Diethyl-2,12-dimethyl-17-nitro-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-20-one
• 英文别名: 10,21-diethyl-2,12-dimethyl-17-nitro-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-20-one
• CAS: 1262204-22-7
• 化学式: C₂₅H₂₃N₃O₃
• 分子量: 413.476
• InChiKey: WXZSOCJFSADJRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-ethyl-N-(9-ethyl-1,4-dimethyl-9H-carbazol-3-yl)-2-iodo-5-nitrobenzamide 在 palladium diacetate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以82%的产率得到10,21-Diethyl-2,12-dimethyl-17-nitro-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14(19),15,17-nonaen-20-one
  参考文献：
  名称：

  Palladium-mediated intramolecular O-arylation: a simple route for the synthesis of quino[2,3-c] and quino[3,2-b]carbazoles

  摘要：

  A simple route for the synthesis of quinocarbazoles in good yields via palladium-mediated intramolecular arylation involving ortho C-H activation is reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.073

文献信息

• Palladium-mediated intramolecular O-arylation: a simple route for the synthesis of quino[2,3-c] and quino[3,2-b]carbazoles
  作者：Devanga K. Sreenivas、Rajagopal Nagarajan

  DOI：10.1016/j.tet.2010.10.073

  日期：2010.12

  A simple route for the synthesis of quinocarbazoles in good yields via palladium-mediated intramolecular arylation involving ortho C-H activation is reported. (C) 2010 Elsevier Ltd. All rights reserved.