3,7-bis(9,9-dimethyl-9H-fluoren-2-yl)-dibenzothiophene-S,S-dioxide | 1217891-72-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 3,7-bis(9,9-dimethyl-9H-fluoren-2-yl)-dibenzothiophene-S,S-dioxide
• 英文别名: 3,7-Bis(9,9-dimethylfluoren-2-yl)dibenzothiophene 5,5-dioxide；3,7-bis(9,9-dimethylfluoren-2-yl)dibenzothiophene 5,5-dioxide
• CAS: 1217891-72-9
• 化学式: C₄₂H₃₂O₂S
• 分子量: 600.781
• InChiKey: JCTPKALQUFHOTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  45
• 可旋转键数：
  2
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二苯并噻吩 在 四(三苯基膦)钯 、 硫酸 、 双氧水 、 碘 、 potassium carbonate 、 溶剂黄146 、 过碘酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 生成 3,7-bis(9,9-dimethyl-9H-fluoren-2-yl)-dibenzothiophene-S,S-dioxide
  参考文献：
  名称：

  Fluorescent oligomers of dibenzothiophene-S,S-dioxide derivatives: the interplay of crystal conformations and photo-physical properties

  摘要：

  Fluorescent oligomers where the backbone of dibenzothiophene-S,S-dioxide acts as the acceptor and side chains of aryl methoxy, fluorene, and arylamine act as the donors have been effectively synthesized by the palladium-catalyzed Suzuki coupling reactions, and the photo-physical properties of the compounds were investigated. From the single-crystal XRD patterns the compounds reveal a twisted conformation with an intramolecular structure and show close relationship between intramolecular or intermolecular charge transfer and their photo-physical properties. These patterns provide more comprehensive information, which is unattainable from H-1 NMR and 2D-COSY spectra. The emission spectrum in the range of 450-510 nm can be finely tuned by systematically altering the position of substitution on the donor units of side chains connected with the backbone acceptor. The fabricated devices displayed a sky blue to deep green in terms of color and performed the CIE (x,y) coordinates with values of (0.18-0.21, 0.25-0.46), respectively. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.04.085

文献信息

• 一种电致发光材料及其制备方法与应用
  申请人：东莞伏安光电科技有限公司

  公开号：CN109837082B

  公开（公告）日：2022-07-26

  本发明公开了一类电致发光材料及其制备方法与应用。其中硫氧芴并苯单元为七元稠环结构，较好的平面性有利于载流子的注入与传输，提高材料的光电性能；并环结构使得硫氧芴并苯单元具有较好的刚性，有利于提高材料的抗热能力，满足材料实用化需求。本发明通过Suzuki偶联反应、乌尔曼偶联反应、still偶联反应等得到所述的基于硫氧芴并苯单元的电致发光材料具有较好的溶解性，可采用常见有机溶剂溶解，通过旋涂、喷墨打印或印刷成膜，制备得到发光二极管的发光层。
• Fluorescent oligomers of dibenzothiophene-S,S-dioxide derivatives: the interplay of crystal conformations and photo-physical properties
  作者：Chung-Yi Hsu、Mu-Tao Hsieh、Mu-Kuo Tsai、Yin-Ji Li、Chien-Jung Huang、Yan-Kuin Su、Thou-Jen Whang

  DOI：10.1016/j.tet.2012.04.085

  日期：2012.7

  Fluorescent oligomers where the backbone of dibenzothiophene-S,S-dioxide acts as the acceptor and side chains of aryl methoxy, fluorene, and arylamine act as the donors have been effectively synthesized by the palladium-catalyzed Suzuki coupling reactions, and the photo-physical properties of the compounds were investigated. From the single-crystal XRD patterns the compounds reveal a twisted conformation with an intramolecular structure and show close relationship between intramolecular or intermolecular charge transfer and their photo-physical properties. These patterns provide more comprehensive information, which is unattainable from H-1 NMR and 2D-COSY spectra. The emission spectrum in the range of 450-510 nm can be finely tuned by systematically altering the position of substitution on the donor units of side chains connected with the backbone acceptor. The fabricated devices displayed a sky blue to deep green in terms of color and performed the CIE (x,y) coordinates with values of (0.18-0.21, 0.25-0.46), respectively. (c) 2012 Elsevier Ltd. All rights reserved.