14,21-Diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidenecyanamide | 116935-19-4

• 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: 14,21-Diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidenecyanamide
• CAS: 116935-19-4
• 化学式: C₂₀H₂₂N₄
• 分子量: 318.421
• InChiKey: PGIOSDTXXXXKEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 14,21-Diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidenecyanamide 以 乙醚 为溶剂， 以33%的产率得到{5,6,7,8,8a,9,10,11,12,13-decahydro-3-methylindazolo[7',6':4,5]imidazo[2,1-e]acridin-16(3H)-ylidene}cyanamide
  参考文献：
  名称：

  1,3-dipolar cycloaddition of diazomethane to quinoid derivatives of pyrido[1,2-a]benzimidazole

  摘要：

  Reactions of diazomethane with quinone mono(di)imines and methylidene quinone imines of pyrido[1,2-a]benzimidazole series occurs by the route of 1,3-dipolar cycloaddition and leads to the formation of quinoid compounds, in particular, previously unknown heterocyclic structures of indazolo[7',6':4,5]imidazo-[2,1-j]quinoline, indazolo[7',6':4,5]imidazo[2,1-e]acridine, indazolo[4',5':4,5]imidazo[2,1-j]quinoline, and indazolo[4',5':4,5]imidazo[2,1-e]acridine.

  DOI：

  10.1134/s1070428017020154
• 作为产物：
  描述：

  6,7,8,9,9a,10,11,12,13,14-decahydro-5H-benzimidazo[2,1-e]acridine 、 硫脲 在 manganese(IV) oxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以80%的产率得到14,21-Diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidenecyanamide
  参考文献：
  名称：

  Oxidative coupling of 4a,9-diaza-1,2,4a,9a-tetrahydrofluorenes. 1. Synthesis of mononuclear heterocyclic quinonediimines

  摘要：

  DOI：

  10.1007/bf00481519

文献信息

• Oxidative coupling of 4a,9-diaza-1,2,4a,9a-tetrahydrofluorenes. 1. Synthesis of mononuclear heterocyclic quinonediimines
  作者：O. Yu. Slabko、V. A. Kaminskii、M. N. Tilichenko

  DOI：10.1007/bf00481519

  日期：1989.11
• 1,3-dipolar cycloaddition of diazomethane to quinoid derivatives of pyrido[1,2-a]benzimidazole
  作者：O. Yu. Slabko、N. V. Ageenko、V. A. Denisenko、V. A. Kaminskii

  DOI：10.1134/s1070428017020154

  日期：2017.2

  Reactions of diazomethane with quinone mono(di)imines and methylidene quinone imines of pyrido[1,2-a]benzimidazole series occurs by the route of 1,3-dipolar cycloaddition and leads to the formation of quinoid compounds, in particular, previously unknown heterocyclic structures of indazolo[7',6':4,5]imidazo-[2,1-j]quinoline, indazolo[7',6':4,5]imidazo[2,1-e]acridine, indazolo[4',5':4,5]imidazo[2,1-j]quinoline, and indazolo[4',5':4,5]imidazo[2,1-e]acridine.