3-(4-Methoxyphenyl)sulfanyl-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 | 1233942-08-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 3-(4-Methoxyphenyl)sulfanyl-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
• CAS: 1233942-08-9
• 化学式: C₄₁H₂₇NO₃S
• 分子量: 613.736
• InChiKey: BJLFUUUSTQDNBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  46
• 可旋转键数：
  3
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-甲氧基苯硫酚 、 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 24.0h， 以85%的产率得到3-(4-Methoxyphenyl)sulfanyl-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
  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.