3-Phenyl-7,10-dithia-3,18-diazapentacyclo[9.7.0.02,9.04,8.012,17]octadeca-1(11),2(9),4(8),5,12,14,16-heptaene | 1203585-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-Phenyl-7,10-dithia-3,18-diazapentacyclo[9.7.0.02,9.04,8.012,17]octadeca-1(11),2(9),4(8),5,12,14,16-heptaene
• 英文别名: 3-phenyl-7,10-dithia-3,18-diazapentacyclo[9.7.0.02,9.04,8.012,17]octadeca-1(11),2(9),4(8),5,12,14,16-heptaene
• CAS: 1203585-41-4
• 化学式: C₂₀H₁₂N₂S₂
• 分子量: 344.461
• InChiKey: SOHYKJGPKRSVHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Phenyl-7,10-dithia-3,18-diazapentacyclo[9.7.0.02,9.04,8.012,17]octadeca-1(11),2(9),4(8),5,12,14,16-heptaene 、 碘甲烷 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以70%的产率得到18-Methyl-3-phenyl-7,10-dithia-3,18-diazapentacyclo[9.7.0.02,9.04,8.012,17]octadeca-1(11),2(9),4(8),5,12,14,16-heptaene
  参考文献：
  名称：

  Synthesis and Characterization of Unsymmetric Indolodithienopyrrole and Extended Diindolodithienopyrrole

  摘要：

  Indole-fused dithieno[3,2-b:2',3'-d]pyrrole-based unsymmetrical and extended heteroacenes were synthesized and characterized. Solid-state structures were examined using single-crystal X-ray diffraction to understand their packing behavior. The optical and electrochemical properties of these new heteroacenes are also described in detail.

  DOI：

  10.1021/ol902528b
• 作为产物：
  描述：

  C₂₀H₁₂N₂O₂S₂ 在 亚磷酸三乙酯 作用下， 以 邻二氯苯 为溶剂， 反应 24.0h， 以34%的产率得到3-Phenyl-7,10-dithia-3,18-diazapentacyclo[9.7.0.02,9.04,8.012,17]octadeca-1(11),2(9),4(8),5,12,14,16-heptaene
  参考文献：
  名称：

  Synthesis and Characterization of Unsymmetric Indolodithienopyrrole and Extended Diindolodithienopyrrole

  摘要：

  Indole-fused dithieno[3,2-b:2',3'-d]pyrrole-based unsymmetrical and extended heteroacenes were synthesized and characterized. Solid-state structures were examined using single-crystal X-ray diffraction to understand their packing behavior. The optical and electrochemical properties of these new heteroacenes are also described in detail.

  DOI：

  10.1021/ol902528b

文献信息

• Synthesis and Characterization of Unsymmetric Indolodithienopyrrole and Extended Diindolodithienopyrrole
  作者：Ganapathy Balaji、Dazril Izrar Phua、Wong Low Shim、Suresh Valiyaveettil

  DOI：10.1021/ol902528b

  日期：2010.1.15

  Indole-fused dithieno[3,2-b:2',3'-d]pyrrole-based unsymmetrical and extended heteroacenes were synthesized and characterized. Solid-state structures were examined using single-crystal X-ray diffraction to understand their packing behavior. The optical and electrochemical properties of these new heteroacenes are also described in detail.