14-Nitrononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene-3-carbonitrile | 1233942-07-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 14-Nitrononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene-3-carbonitrile
• CAS: 1233942-07-8
• 化学式: C₃₅H₂₀N₂O₂
• 分子量: 500.556
• InChiKey: FDQGLBRQEJVKBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  39
• 可旋转键数：
  0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  69.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  14-Nitrononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene-3-carbonitrile 在 盐酸 、 tin(II) chloride dihdyrate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 12.0h， 以95%的产率得到14-Aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene-3-carbonitrile
  参考文献：
  名称：

  Pentiptycene Building Blocks Derived from Nucleophilic Aromatic Substitution of Pentiptycene Triflates and Halides

  摘要：

  The nucleophilic aromatic substitution (S(N)Ar) reactions of the nitro-substituted pentiptycene triflate 15 with LiBr and LiI and the resulting halides 18 and 19 with N(3)(-), CN(-), and ArS(-) in DMF provide an efficient route toward pentiptycene halides and dihalides and other new pentiptycene building blocks. The reactivity of diaminopentiptycene in Pd-catalyzed C-N coupling reactions is also demonstrated.

  DOI：

  10.1021/jo100812z
• 作为产物：
  描述：

  copper(i) cyanide 、 3-Iodo-14-nitrononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaene 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以95%的产率得到14-Nitrononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2(15),3,6,8,10,13,17,19,21,23,25,27,29,31,33-pentadecaene-3-carbonitrile
  参考文献：
  名称：

  Pentiptycene Building Blocks Derived from Nucleophilic Aromatic Substitution of Pentiptycene Triflates and Halides

  摘要：

  The nucleophilic aromatic substitution (S(N)Ar) reactions of the nitro-substituted pentiptycene triflate 15 with LiBr and LiI and the resulting halides 18 and 19 with N(3)(-), CN(-), and ArS(-) in DMF provide an efficient route toward pentiptycene halides and dihalides and other new pentiptycene building blocks. The reactivity of diaminopentiptycene in Pd-catalyzed C-N coupling reactions is also demonstrated.

  DOI：

  10.1021/jo100812z

文献信息

• Pentiptycene Building Blocks Derived from Nucleophilic Aromatic Substitution of Pentiptycene Triflates and Halides
  作者：Sandip Kumar Kundu、Wei Shyang Tan、Jyu-Lun Yan、Jye-Shane Yang

  DOI：10.1021/jo100812z

  日期：2010.7.2

  The nucleophilic aromatic substitution (S(N)Ar) reactions of the nitro-substituted pentiptycene triflate 15 with LiBr and LiI and the resulting halides 18 and 19 with N(3)(-), CN(-), and ArS(-) in DMF provide an efficient route toward pentiptycene halides and dihalides and other new pentiptycene building blocks. The reactivity of diaminopentiptycene in Pd-catalyzed C-N coupling reactions is also demonstrated.