Trimethyl-[2-[4-[10-(2,4,6-trimethylphenyl)-2,8-bis[2-[4-[10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]silane | 1181972-84-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Trimethyl-[2-[4-[10-(2,4,6-trimethylphenyl)-2,8-bis[2-[4-[10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]silane
• CAS: 1181972-84-8
• 化学式: C₉₀H₇₆B₃N₃Si
• 分子量: 1260.13
• InChiKey: DETZFDBQTSPKLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.39
• 重原子数：
  97
• 可旋转键数：
  12
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  9.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Trimethyl-[2-[4-[10-(2,4,6-trimethylphenyl)-2,8-bis[2-[4-[10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]silane 在 potassium carbonate 、 盐酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 9.0h， 以0.11 g的产率得到5,5'-(((5-(4-ethynylphenyl)-10-mesityl-5,10-dihydrodibenzo[b,e][1,4]azaborinine-2,8-diyl)bis(ethyne-2,1-diyl))bis(4,1-phenylene))bis(10-mesityl-5,10-dihydrodibenzo[b,e][1,4]azaborinine)
  参考文献：
  名称：

  Synthesis of π-Conjugated Dendrimers Based on Azaborines

  摘要：

  pi-Conjugated dendrons and dendrimers based on dibenzoazaborine were synthesized. The azaborine dendrons exhibited strong light absorption and photoluminescence, reflecting the optical properties of the azaborine. The fluorescence from the azaborine dendrimers bearing a benzothiadiazole core was strongly red-shifted or quenched, indicating photoinduced electron transfer from the azaborine dendrons to the core unit.

  DOI：

  10.1021/ol901035d
• 作为产物：
  描述：

  5-(4-ethynylphenyl)-10-mesityl-5,10-dihydrodibenzo[b,e][1,4]azaborinine 、 2-[4-[2,8-Dibromo-10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl-trimethylsilane 在 copper(l) iodide 、 三乙胺 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 反应 15.0h， 以55%的产率得到Trimethyl-[2-[4-[10-(2,4,6-trimethylphenyl)-2,8-bis[2-[4-[10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]benzo[b][1,4]benzazaborinin-5-yl]phenyl]ethynyl]silane
  参考文献：
  名称：

  Synthesis of π-Conjugated Dendrimers Based on Azaborines

  摘要：

  pi-Conjugated dendrons and dendrimers based on dibenzoazaborine were synthesized. The azaborine dendrons exhibited strong light absorption and photoluminescence, reflecting the optical properties of the azaborine. The fluorescence from the azaborine dendrimers bearing a benzothiadiazole core was strongly red-shifted or quenched, indicating photoinduced electron transfer from the azaborine dendrons to the core unit.

  DOI：

  10.1021/ol901035d