3,5-Bis(4-methoxyphenyl)-10,13-dithia-5-aza-3-azonia-4-phosphatetracyclo[10.3.0.02,6.07,11]pentadeca-1,3,6,8,11,14-hexaene;trifluoromethanesulfonate | 1349037-50-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 3,5-Bis(4-methoxyphenyl)-10,13-dithia-5-aza-3-azonia-4-phosphatetracyclo[10.3.0.02,6.07,11]pentadeca-1,3,6,8,11,14-hexaene;trifluoromethanesulfonate
• CAS: 1349037-50-8
• 化学式: CF₃O₃S*C₂₄H₁₈N₂O₂PS₂
• 分子量: 610.595
• InChiKey: RRQHUBDNMCHMIF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.99
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  四(三苯基膦)铂 、 3,5-Bis(4-methoxyphenyl)-10,13-dithia-5-aza-3-azonia-4-phosphatetracyclo[10.3.0.02,6.07,11]pentadeca-1,3,6,8,11,14-hexaene;trifluoromethanesulfonate 以 二氯甲烷 为溶剂， 以77%的产率得到
  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：

  三氟甲磺酸三甲基硅酯 、 2-chloro-1,3-bis(4-methoxyphenyl)-2,3-dihydro-1H-dithieno[3',2':3,4;2'',3'':5,6]benzo[1,2-d][1,3,2]diazaphosphole 以 二氯甲烷 为溶剂， 反应 0.17h， 以90%的产率得到3,5-Bis(4-methoxyphenyl)-10,13-dithia-5-aza-3-azonia-4-phosphatetracyclo[10.3.0.02,6.07,11]pentadeca-1,3,6,8,11,14-hexaene;trifluoromethanesulfonate
  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