2-(2,4-Difluorophenyl)-6-fluoro-1,3-benzothiazole | 837383-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 2-(2,4-Difluorophenyl)-6-fluoro-1,3-benzothiazole
• 英文别名: 2-(2,4-difluorophenyl)-6-fluoro-1,3-benzothiazole
• CAS: 837383-76-3
• 化学式: C₁₃H₆F₃NS
• 分子量: 265.259
• InChiKey: REXXAHCOECBTQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  氯化铱(III) 水合物 、 2-(2,4-Difluorophenyl)-6-fluoro-1,3-benzothiazole 以 乙二醇甲醚 、 水 为溶剂， 生成 [(2-(2,4-difluorophenyl)-6-fluoro-1,3-benzothiazolato-N,C(2'))2IrCl]2
  参考文献：
  名称：

  Color tunable phosphorescent light-emitting diodes based on iridium complexes with substituted 2-phenylbenzothiozoles as the cyclometalated ligands

  摘要：

  Several iridium complexes {iridium(III)bis[2-(3-methoxyphenyl)- 1,3-benzothiozolato-N,C-2'] acetylacetonate (MeO-BT)(2)Ir(acac), iridium(III)bis[2-(2,4-difluorophenyl)-1,3-benzothiozolato-N,C-2'] acetylacetonate (2F-BT)(2)Ir(acac), and iridium(III)bis[2-(2,4-difluorophenyl)-6-fluoro-1,3-benzothiozolato-N, C-2'] acetylacetonate (3F-BT)(2)Ir(acac)} having different substituents on 2-phenyl-benzothiazole have been synthesized. The phosphorescent light emitting diodes (PHOLEDs) using these iridium complexes as dopant emitters were fabricated. The,experimental results revealed that the emissive colors of PHOLEDs could be finely tuned by suitable modification of the substituents on the 2-phenylbenzothiazole ligands. Furthermore, these iridium Complexes show better emissive properties than the known iridium(III)bis(2-phenylbenzothiozolato-N,C-2') acetylacetonate (BT)(2)Ir(acac). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.003
• 作为产物：
  描述：

  2-氨基-6-氟苯并噻唑 在 氢氧化钾 、 水 、 对甲苯磺酸 作用下， 以 氯仿 、 乙二醇 为溶剂， 反应 39.0h， 生成 2-(2,4-Difluorophenyl)-6-fluoro-1,3-benzothiazole
  参考文献：
  名称：

  Color tunable phosphorescent light-emitting diodes based on iridium complexes with substituted 2-phenylbenzothiozoles as the cyclometalated ligands

  摘要：

  Several iridium complexes {iridium(III)bis[2-(3-methoxyphenyl)- 1,3-benzothiozolato-N,C-2'] acetylacetonate (MeO-BT)(2)Ir(acac), iridium(III)bis[2-(2,4-difluorophenyl)-1,3-benzothiozolato-N,C-2'] acetylacetonate (2F-BT)(2)Ir(acac), and iridium(III)bis[2-(2,4-difluorophenyl)-6-fluoro-1,3-benzothiozolato-N, C-2'] acetylacetonate (3F-BT)(2)Ir(acac)} having different substituents on 2-phenyl-benzothiazole have been synthesized. The phosphorescent light emitting diodes (PHOLEDs) using these iridium complexes as dopant emitters were fabricated. The,experimental results revealed that the emissive colors of PHOLEDs could be finely tuned by suitable modification of the substituents on the 2-phenylbenzothiazole ligands. Furthermore, these iridium Complexes show better emissive properties than the known iridium(III)bis(2-phenylbenzothiozolato-N,C-2') acetylacetonate (BT)(2)Ir(acac). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.003