12-Methylidene-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene | 1254070-56-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 12-Methylidene-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene
• 英文别名: 12-methylidene-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene
• CAS: 1254070-56-8
• 化学式: C₂₀H₁₄N₂
• 分子量: 282.345
• InChiKey: XOIPXDKWZGKZOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-allyl-2-(1-bromo-2-naphthyl)-1H-benzimidazole 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium acetate 作用下， 以 2,4-滴二甲胺盐 为溶剂， 反应 2.0h， 以87%的产率得到12-Methylidene-3,10-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene
  参考文献：
  名称：

  Synthesis of substituted benzimidazo[2,1-a]isoquinolines and its condensed analogues using Pd(0)-catalyzed cyclization/C–H activation

  摘要：

  An efficient route for the synthesis of benzimidazo[2,1-a]isoquinolines and its condensed analogues has been developed via the palladium-catalyzed cyclization/C-H activation of N-allyl and N-methallyl derivatives of benzimidazoles. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.07.162

文献信息

• Synthesis of substituted benzimidazo[2,1-a]isoquinolines and its condensed analogues using Pd(0)-catalyzed cyclization/C–H activation
  作者：Sukla Nandi、Shubhankar Samanta、Susovan Jana、Jayanta K. Ray

  DOI：10.1016/j.tetlet.2010.07.162

  日期：2010.10

  An efficient route for the synthesis of benzimidazo[2,1-a]isoquinolines and its condensed analogues has been developed via the palladium-catalyzed cyclization/C-H activation of N-allyl and N-methallyl derivatives of benzimidazoles. (C) 2010 Elsevier Ltd. All rights reserved.