9-Thiahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene | 111364-69-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 9-Thiahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
• 英文别名: 9-thiahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
• CAS: 111364-69-3
• 化学式: C₂₂H₁₂S
• 分子量: 308.403
• InChiKey: HWSZVSGMDVDXIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  9-Thiahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以95%的产率得到
  参考文献：
  名称：

  Synthesis, structure and photophysical properties of regioisomeric sulfone-bridged pyrene–thienoacenes

  摘要：

  Three regioisomeric sulfone-bridged phenyl-pyrene derivatives have been synthesized by post-oxidizing the corresponding sulfide-bridged phenyl-pyrene isomers. The photophysical properties and two crystal structures of these sulfones were investigated and compared with those of their parent compounds. These sulfones display all remarkable solid-state photoluminescence efficiencies as well as good fluorescence quantum yield in solutions. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2015.06.003
• 作为产物：
  描述：

  芘 在 四(三苯基膦)钯 、 正丁基锂 、 三氟甲磺酸 、 氢溴酸 、 双氧水 、 三溴化硼 、 sodium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 48.5h， 生成 9-Thiahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
  参考文献：
  名称：

  Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene–Thienoacenes

  摘要：

  Three regioisomeric sulfur-bridged pyrene-thienoacenes (PTAs) have been synthesized. The crystal structures and optoelectronic properties of these ring-fused PTAs and their ring-opened precursors have been fully investigated. Among these isomers, the [3,4]-extended compound (4-S-PTA) shows the most pronounced spectral red-shift and highest quantum yield as well as large transistor mobility.

  DOI：

  10.1021/ol402971n

文献信息

• Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene–Thienoacenes
  作者：Shiqian Zhang、Xiaolan Qiao、Ying Chen、Yuanyuan Wang、Robert M. Edkins、Zhiqiang Liu、Hongxiang Li、Qi Fang

  DOI：10.1021/ol402971n

  日期：2014.1.17

  Three regioisomeric sulfur-bridged pyrene-thienoacenes (PTAs) have been synthesized. The crystal structures and optoelectronic properties of these ring-fused PTAs and their ring-opened precursors have been fully investigated. Among these isomers, the [3,4]-extended compound (4-S-PTA) shows the most pronounced spectral red-shift and highest quantum yield as well as large transistor mobility.
• Synthesis, structure and photophysical properties of regioisomeric sulfone-bridged pyrene–thienoacenes
  作者：Shiqian Zhang、Ying Chen、Zhiqiang Liu、Qi Fang

  DOI：10.1016/j.jphotochem.2015.06.003

  日期：2015.10

  Three regioisomeric sulfone-bridged phenyl-pyrene derivatives have been synthesized by post-oxidizing the corresponding sulfide-bridged phenyl-pyrene isomers. The photophysical properties and two crystal structures of these sulfones were investigated and compared with those of their parent compounds. These sulfones display all remarkable solid-state photoluminescence efficiencies as well as good fluorescence quantum yield in solutions. (C) 2015 Elsevier B.V. All rights reserved.