6,6'-bis(3',4',5'-trimethoxyphenyl)-4,4'-bipyrimidine | 866722-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6,6'-bis(3',4',5'-trimethoxyphenyl)-4,4'-bipyrimidine
• 英文别名: 6,6'-Bis(3,4,5-trimethoxyphenyl)-4,4'-bipyrimidine；4-(3,4,5-trimethoxyphenyl)-6-[6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]pyrimidine
• CAS: 866722-58-9
• 化学式: C₂₆H₂₆N₄O₆
• 分子量: 490.516
• InChiKey: OEOFGPASTVWSDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 顺-双(2,2-二吡啶)二氯化钌(II) 水合物 、 6,6'-bis(3',4',5'-trimethoxyphenyl)-4,4'-bipyrimidine 以 乙醇 、 水 为溶剂， 以63%的产率得到[Ru(2,2'-bipyridine)2(6,6'-bis(3',4',5'-trimethoxyphenyl)-4,4'-bipyrimidine)](hexafluorophosphate)2
  参考文献：
  名称：

  基于 6,6'-二取代 4,4'-双嘧啶的杂配钌 (II) 配合物：新的室温发红光物质

  摘要：

  摘要 制备了一系列基于 6,6'-二取代 4,4'-联嘧啶 (bpm) 和两个 2,2'-联吡啶 (bpy) 配体的新型杂配钌 (II) 配合物，其光谱和电化学性质均优于被调查。该配合物表现出以约 540 nm 为中心的 Ru-to-bpm 金属-配体电荷转移 (MLCT) 吸收和以约 435 nm 为中心的 Ru-bpy MLCT 吸收。新的配合物在室温下在流体溶液中是发光的，它们是基于已知的三双齿单核 Ru(II) 配合物的最长波长发射器 (λmax > 780 nm) 之一。

  DOI：

  10.1016/j.inoche.2005.03.022

文献信息

• Heteroleptic ruthenium(II) complexes based on 6,6′-disubstituted 4,4′-bipyrimidines: New room temperature red-emitting species
  作者：Elena Ioachim、Elaine A. Medlycott、Garry S. Hanan、Frédérique Loiseau、Vittorio Ricevuto、Sebastiano Campagna

  DOI：10.1016/j.inoche.2005.03.022

  日期：2005.6

  Abstract A new series of heteroleptic ruthenium(II) complexes based on 6,6′-disubstituted 4,4′-bipyrimidines (bpm) and two 2,2′-bipyridine (bpy) ligands have been prepared and their spectroscopic and electrochemical properties have been investigated. The complexes exhibit Ru-to-bpm metal-to-ligand charge transfer (MLCT) absorptions centered at about 540 nm and Ru-to-bpy MLCT absorptions centered at

  摘要 制备了一系列基于 6,6'-二取代 4,4'-联嘧啶 (bpm) 和两个 2,2'-联吡啶 (bpy) 配体的新型杂配钌 (II) 配合物，其光谱和电化学性质均优于被调查。该配合物表现出以约 540 nm 为中心的 Ru-to-bpm 金属-配体电荷转移 (MLCT) 吸收和以约 435 nm 为中心的 Ru-bpy MLCT 吸收。新的配合物在室温下在流体溶液中是发光的，它们是基于已知的三双齿单核 Ru(II) 配合物的最长波长发射器 (λmax > 780 nm) 之一。
• Synthesis and properties of red emitter Ru(II) complexes based on 6,6′-disubstituted-4,4′-bipyrimidine
  作者：Elena Ioachim、Elaine A. Medlycott、Garry S. Hanan、Frédérique Loiseau、Sebastiano Campagna

  DOI：10.1016/j.ica.2005.03.057

  日期：2006.2

  Heteroleptic complexes [Ru(bpy)(2)(R(2)bpm)](2+), where bpy = 2,2'-bipyridine and R(2)bpm = 6,6'-diaryl-4,4'-bipyrimidine, have been synthesized and characterized, together with the homoleptic complex [Ru(R(2)bPM)3](2+), in which R(2)bpm = 6,6'-diphenyl-4,4'-bipyrimidine. The substituent aryl on the bipyrimidine has significant effects on the properties of these complexes as compared to the parent [Ru(bpy)(2)(bpM)](2+) complex. The complexes exhibit Ru-to-bpm charge transfer (CT) absorptions centered at about 540 nm and Ru-to-bpy CT absorptions centered at about 435 nm. The assignment of the low energy absorptions is supported by the relative ease of the reduction of the new complexes as compared to [Ru(bpy)3](2+). The new complexes exhibit a relatively intense emission at room temperature, with lifetimes in the 10-50 ns range, with the homoleptic species exhibiting the higher-energy (maximum at 724 nm) and the longest-lived (tau = 48 ns) emission among the complexes. Luminescence lifetimes and quantum yields are governed by the energy gap law, indicating that direct deactivation to the ground state is the dominant relaxation pathway for 1-6, while thermally activated processes are inefficient. (c) 2005 Elsevier B.V. All rights reserved.