9-(3,7-dimethyloctyl)-2-(3,7-dimethyloctyloxy)-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl) carbazole | 890079-88-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-(3,7-dimethyloctyl)-2-(3,7-dimethyloctyloxy)-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl) carbazole
• 英文别名: 9-(3,7-Dimethyloctyl)-2-(3,7-dimethyloctyloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl) carbazole；2-(3,7-dimethyloctoxy)-9-(3,7-dimethyloctyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• CAS: 890079-88-6
• 化学式: C₃₈H₆₀BNO₃
• 分子量: 589.71
• InChiKey: FEEPOXHRGSNQOU-UHFFFAOYSA-N

物化性质

• 沸点：
  640.7±55.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.18
• 重原子数：
  43
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  32.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-bromo-9-(3,7-dimethyloctyl)-2-(3,7-dimethyloctyloxy)carbazole 、 9-(3,7-dimethyloctyl)-2-(3,7-dimethyloctyloxy)-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl) carbazole 在 四(三苯基膦)钯 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 48.0h， 以65%的产率得到9,9'-bis(3,7-dimethyloctyl)-2,2'-bis(3,7-dimethyloctyloxy)-3,3'-bicarbazolyl
  参考文献：
  名称：

  9,9'- AND 2,2'-SUBSTITUTED 3,3'-BICARBAZOLYL DERIVATIVES FOR USE IN SEMICONDUCTING MATERIALS AS A HOST MATRIX FOR PHOSPHORESCENT EMITTERS

  摘要：

  公开号：

  EP1838671B1
• 作为产物：
  描述：

  3-bromo-9-(3,7-dimethyloctyl)-2-(3,7-dimethyloctyloxy)carbazole 、 异丙醇频哪醇硼酸酯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以70%的产率得到9-(3,7-dimethyloctyl)-2-(3,7-dimethyloctyloxy)-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl) carbazole
  参考文献：
  名称：

  9,9'- AND 2,2'-SUBSTITUTED 3,3'-BICARBAZOLYL DERIVATIVES FOR USE IN SEMICONDUCTING MATERIALS AS A HOST MATRIX FOR PHOSPHORESCENT EMITTERS

  摘要：

  公开号：

  EP1838671B1

文献信息

• CARBAZOLE COMPOUNDS
  申请人：Brunner Klemens

  公开号：US20090242876A1

  公开（公告）日：2009-10-01

  The present invention relates to carbazole compounds of formula (I) and a semiconducting material comprising such carbazole compounds. It also relates to a process for the preparation of such carbazole compounds, as well as to the use thereof as a semiconducting material, in particular as a host matrix for phosphorescent emitters.

  本发明涉及式（I）的咔唑化合物以及包含此类咔唑化合物的半导体材料。它还涉及制备这种咔唑化合物的过程，以及将其用作半导体材料，特别是用作磷光发射剂的主基质的用途。
• Polymeric Carbazole Compounds
  申请人：Van Dijken Albert

  公开号：US20080269461A1

  公开（公告）日：2008-10-30

  A polymeric carbazole compound comprising a monomer unit of formula (I): is disclosed, wherein x and y are equal to zero or 1, and n is an integer equal to or larger than zero. P represents a phenyl group, and C 1 , C 2 and C 3 represent carbazole units. The derealization of the triplet wave function over the biphenyl structure is decreased by introducing twists in the polymer backbone at the location where the two carbazole units are connected, whereby the triplet energy is increased. The twist is introduced by substituents, e.g. methoxy or 3,7-dimethyloctyloxy. The polymeric carbazole compound may be used as a semiconducting material. The semiconducting material may be used as a host matrix for luminescent emitters.

  本发明揭示了一种聚合物咔唑化合物，其包括式(I)的单体单元：其中x和y等于零或1，n是大于或等于零的整数。P代表苯基，C1、C2和C3代表咔唑基。通过在两个咔唑基连接处的聚合物骨架中引入扭曲，可以降低三重波函数在联苯结构上的去实化，从而增加三重能量。扭曲是通过取代基引入的，例如甲氧基或3,7-二甲氧基辛氧基。聚合物咔唑化合物可用作半导体材料。半导体材料可用作发光发射体的主体基质。