2-(4-acetylphenyl)-10-(4-methoxyphenyl)trithia[5]helicene | 1015201-64-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-acetylphenyl)-10-(4-methoxyphenyl)trithia[5]helicene
• 英文别名: 1-[4-[17-(4-Methoxyphenyl)-6,11,16-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),4,8,13,15(19),17-octaen-5-yl]phenyl]ethanone；1-[4-[17-(4-methoxyphenyl)-6,11,16-trithiapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(12),2(10),3(7),4,8,13,15(19),17-octaen-5-yl]phenyl]ethanone
• CAS: 1015201-64-5
• 化学式: C₃₁H₂₀O₂S₃
• 分子量: 520.697
• InChiKey: CKPLMUAQCBUWRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-iodo-11-(4-methoxyphenyl)trithia[5]helicene 、 4-乙酰基苯硼酸 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 乙二醇二甲醚 为溶剂， 生成 2-(4-acetylphenyl)-10-(4-methoxyphenyl)trithia[5]helicene
  参考文献：
  名称：

  Tunable blue-emitting fluorophores—benzo[1,2-b:4,3-b′]dithiophene and trithia[5]helicene end-capped with electron-rich or electron-deficient aryl substituents

  摘要：

  Light-emitting fluorophores 1-10b based on aryl substituted benzo[1,2-b:4,3-b']dithiophenes (BDT) and trithia[5]helicenes (T5H) have been synthesized using various combinations of Suzuki coupling, the Wittig, or McMurry reaction, and subsequent photocyclization of the dithienylethenes thus obtained. Photophysical properties of the helical compounds end-capped with different electron-rich and electron-deficient aryl moieties thus resulting were evaluated. Photocyclization of a dithienylethene derivative 10a was investigated, and the X-ray crystal structure of dinaphthyl-substituted BDT (4) was obtained. With this series of compounds 1-10b, we demonstrate that the optical properties of all of the new compounds, and by extension many conjugated materials, can be tuned over the entire blue range (400-480 nm). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.12.029

文献信息

• Tunable blue-emitting fluorophores—benzo[1,2-b:4,3-b′]dithiophene and trithia[5]helicene end-capped with electron-rich or electron-deficient aryl substituents
  作者：Ying Hu、Brigitte Wex、Marc W. Perkovic、Douglas C. Neckers

  DOI：10.1016/j.tet.2007.12.029

  日期：2008.2

  Light-emitting fluorophores 1-10b based on aryl substituted benzo[1,2-b:4,3-b']dithiophenes (BDT) and trithia[5]helicenes (T5H) have been synthesized using various combinations of Suzuki coupling, the Wittig, or McMurry reaction, and subsequent photocyclization of the dithienylethenes thus obtained. Photophysical properties of the helical compounds end-capped with different electron-rich and electron-deficient aryl moieties thus resulting were evaluated. Photocyclization of a dithienylethene derivative 10a was investigated, and the X-ray crystal structure of dinaphthyl-substituted BDT (4) was obtained. With this series of compounds 1-10b, we demonstrate that the optical properties of all of the new compounds, and by extension many conjugated materials, can be tuned over the entire blue range (400-480 nm). (C) 2007 Elsevier Ltd. All rights reserved.