3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | 1219637-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
• CAS: 1219637-78-1
• 化学式: C₂₀H₂₂BNO₂
• 分子量: 319.211
• InChiKey: IJQNLFLQVFTBJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.13
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 生成 6-(3-nitropyridin-4-yl)-1H-indole
  参考文献：
  名称：

  ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME

  摘要：

  本发明涉及一种新型的以吲哚为基础的化合物，具有优异的空穴注入和传输能力、发光性能和其他特性，以及一种有机电致发光器件，其发光效率、驱动电压、使用寿命和其他特性得到改善，因为其中含有该化合物的一个或多个有机材料层。

  公开号：

  US20150214490A1
• 作为产物：
  描述：

  7-chloro-3-phenyl-1H-indole 生成 3-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
  参考文献：
  名称：

  ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME

  摘要：

  本发明涉及一种新型的以吲哚为基础的化合物，具有优异的空穴注入和传输能力、发光性能和其他特性，以及一种有机电致发光器件，其发光效率、驱动电压、使用寿命和其他特性得到改善，因为其中含有该化合物的一个或多个有机材料层。

  公开号：

  US20150214490A1

文献信息

• Iridium-Catalyzed, Silyl-Directed Borylation of Nitrogen-Containing Heterocycles
  作者：Daniel W. Robbins、Timothy A. Boebel、John F. Hartwig

  DOI：10.1021/ja1006405

  日期：2010.3.31

  Selective methods for the functionalization of indoles and other nitrogen heterocycles would provide access to the core structures of many natural products and pharmaceuticals. Although there are many methods and strategies for the synthesis of substituted indoles or functionalization of the azole ring, strategies for the selective functionalization of the benzo-fused portion of the indole skeleton, particularly the 7-position, are less common. We report a one-pot, iridium-catalyzed, silyl-directed C-H borylation of indoles at the 7-position. This process occurs in high yield with a variety of substituted indoles, and conversions of the 7-borylindole products to 7-aryl-, 7-cinnamyl-, and 7-haloindoles are demonstrated. The Ir-catalyzed, silyl-directed C-H borylation also occurs with several other nitrogen heterocycles, including carbazole, phenothiazines, and tetrahydroquinoline. The utility of this methodology is highlighted by the one-pot synthesis of a member of the pyrrolophenanthridone class of alkaloid natural products.
• ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME
  申请人：DOOSAN CORPORATION

  公开号：US20150214490A1

  公开（公告）日：2015-07-30

  The present invention relates to a novel indole-based compound having excellent hole injection and transport capabilities, light-emission, and other properties, and to an organic electroluminescent device the luminous efficiency, driving voltage, service life, and other characteristics of which are improved due to containing the compound in one or more organic material layers.

  本发明涉及一种新型的以吲哚为基础的化合物，具有优异的空穴注入和传输能力、发光性能和其他特性，以及一种有机电致发光器件，其发光效率、驱动电压、使用寿命和其他特性得到改善，因为其中含有该化合物的一个或多个有机材料层。