4-(4'-bromo-9,9'-spirobifluorene-4-yl)-9,9'-spirobifluorene | 1257321-44-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 4-(4'-bromo-9,9'-spirobifluorene-4-yl)-9,9'-spirobifluorene
• 英文别名: 4-Bromo-4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]；4-bromo-4'-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]
• CAS: 1257321-44-0
• 化学式: C₅₀H₂₉Br
• 分子量: 709.684
• InChiKey: FVKFWLLXPUWWEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  51
• 可旋转键数：
  1
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  4-(4'-bromo-9,9'-spirobifluorene-4-yl)-9,9'-spirobifluorene 、 4-(4'-(9,9'-spirobifluorene-4-yl)-9,9'-spirobifluorene-4-yl)pinacol boronic acid 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 以50%的产率得到4-(9,9'-Spirobi[fluorene]-4'-yl)-4'-[4-(9,9'-spirobi[fluorene]-4'-yl)-9,9'-spirobi[fluorene]-4'-yl]-9,9'-spirobi[fluorene]
  参考文献：
  名称：

  Tri-, Tetra- and Pentamers of 9,9′-Spirobifluorenes through Fullortho-Linkage: High Triplet-Energy Pure Hydrocarbon Host for Blue Phosphorescent Emitter

  摘要：

  4,4'-Dibromo-9,9'-spirobifluorene was first synthesized, and from this intermediate, three fully ortho-linked tri-, tetra-, and pentamers of 9,9'-spirobifluorenes were constructed. The full ortho-linkage impedes the pi conjugation of fluorene units, and guarantees their high triplet energies (Er = 2.80 eV). A device with the trimer as the first pure hydrocarbon host material for blue phosphor Flrpic shows a maximum current efficiency of 25 cd/A.

  DOI：

  10.1021/ol1024184
• 作为产物：
  描述：

  2-(2-溴苯基)苯甲酸 在 盐酸 、 四(三苯基膦)钯 、 正丁基锂 、 硫酸 、 sodium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 水 、 溶剂黄146 为溶剂， 反应 51.5h， 生成 4-(4'-bromo-9,9'-spirobifluorene-4-yl)-9,9'-spirobifluorene
  参考文献：
  名称：

  Tri-, Tetra- and Pentamers of 9,9′-Spirobifluorenes through Fullortho-Linkage: High Triplet-Energy Pure Hydrocarbon Host for Blue Phosphorescent Emitter

  摘要：

  4,4'-Dibromo-9,9'-spirobifluorene was first synthesized, and from this intermediate, three fully ortho-linked tri-, tetra-, and pentamers of 9,9'-spirobifluorenes were constructed. The full ortho-linkage impedes the pi conjugation of fluorene units, and guarantees their high triplet energies (Er = 2.80 eV). A device with the trimer as the first pure hydrocarbon host material for blue phosphor Flrpic shows a maximum current efficiency of 25 cd/A.

  DOI：

  10.1021/ol1024184

文献信息

• Tri-, Tetra- and Pentamers of 9,9′-Spirobifluorenes through Full<i>ortho</i>-Linkage: High Triplet-Energy Pure Hydrocarbon Host for Blue Phosphorescent Emitter
  作者：Cong Fan、Yonghua Chen、Pei Gan、Chuluo Yang、Cheng Zhong、Jingui Qin、Dongge Ma

  DOI：10.1021/ol1024184

  日期：2010.12.17

  4,4'-Dibromo-9,9'-spirobifluorene was first synthesized, and from this intermediate, three fully ortho-linked tri-, tetra-, and pentamers of 9,9'-spirobifluorenes were constructed. The full ortho-linkage impedes the pi conjugation of fluorene units, and guarantees their high triplet energies (Er = 2.80 eV). A device with the trimer as the first pure hydrocarbon host material for blue phosphor Flrpic shows a maximum current efficiency of 25 cd/A.