4-N,5-N-bis(4-methoxyphenyl)thieno[3,2-g][1]benzothiole-4,5-diamine | 1349037-45-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-N,5-N-bis(4-methoxyphenyl)thieno[3,2-g][1]benzothiole-4,5-diamine
• CAS: 1349037-45-1
• 化学式: C₂₄H₂₀N₂O₂S₂
• 分子量: 432.567
• InChiKey: QCBVCLREWBJPNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  99
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-N,5-N-bis(4-methoxyphenyl)thieno[3,2-g][1]benzothiole-4,5-diamine 在 N-甲基吗啉 、 三氯化砷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 96.75h， 生成
  参考文献：
  名称：

  Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone

  摘要：

  Thiophene based polymers and oligomers have attracted considerable attention because they can be functionalized to alter the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), which enables the design of tunable light emitting materials. One area, which has been less explored, is the incorporation of low coordinate, low oxidation state main group elements into these systems. We have currently developed a novel pi-conjugated ligand containing two contiguous thiophene rings in which we have demonstrated its ability to support both pnictogen cations and their metal complexes.

  DOI：

  10.1021/ic201983n
• 作为产物：
  描述：

  1,1'-([2,2'-bithiophene]-3,3'-diyl)bis(N-(4-methoxyphenyl)methanimine) 在 sodium cyanide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以80%的产率得到4-N,5-N-bis(4-methoxyphenyl)thieno[3,2-g][1]benzothiole-4,5-diamine
  参考文献：
  名称：

  Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone

  摘要：

  Thiophene based polymers and oligomers have attracted considerable attention because they can be functionalized to alter the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), which enables the design of tunable light emitting materials. One area, which has been less explored, is the incorporation of low coordinate, low oxidation state main group elements into these systems. We have currently developed a novel pi-conjugated ligand containing two contiguous thiophene rings in which we have demonstrated its ability to support both pnictogen cations and their metal complexes.

  DOI：

  10.1021/ic201983n

文献信息

• Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone
  作者：Jacquelyn T. Price、Melanie Lui、Nathan D. Jones、Paul J. Ragogna

  DOI：10.1021/ic201983n

  日期：2011.12.19

  Thiophene based polymers and oligomers have attracted considerable attention because they can be functionalized to alter the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), which enables the design of tunable light emitting materials. One area, which has been less explored, is the incorporation of low coordinate, low oxidation state main group elements into these systems. We have currently developed a novel pi-conjugated ligand containing two contiguous thiophene rings in which we have demonstrated its ability to support both pnictogen cations and their metal complexes.