2-Thiahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1(23),3,5,7,9(22),10,12(21),13,15(20),16,18-undecaene | 1527009-86-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 2-Thiahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1(23),3,5,7,9(22),10,12(21),13,15(20),16,18-undecaene
• 英文别名: 2-thiahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1(23),3,5,7,9(22),10,12(21),13,15(20),16,18-undecaene
• CAS: 1527009-86-4
• 化学式: C₂₂H₁₂S
• 分子量: 308.403
• InChiKey: YDWLEWCBADGASF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 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：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-Thiahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1(23),3,5,7,9(22),10,12(21),13,15(20),16,18-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93%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：

  methyl(2-(pyren-1-yl)phenyl)sulfane 在 三氟甲磺酸 、 双氧水 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 36.5h， 生成 2-Thiahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-1(23),3,5,7,9(22),10,12(21),13,15(20),16,18-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.