4,4'-bis(2,2'-bipyridinyl-5-carboxymethyl)biphenylene | 1147123-93-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4,4'-bis(2,2'-bipyridinyl-5-carboxymethyl)biphenylene
• 英文别名: [4-[4-[(6-Pyridin-2-ylpyridine-3-carbonyl)oxymethyl]phenyl]phenyl]methyl 6-pyridin-2-ylpyridine-3-carboxylate
• CAS: 1147123-93-0
• 化学式: C₃₆H₂₆N₄O₄
• 分子量: 578.627
• InChiKey: UJBLBHPFEILJQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  104
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 4,4'-bis(2,2'-bipyridinyl-5-carboxymethyl)biphenylene 、 cis-[Ru(2,2’-bipyridine)₂(acetone)₂](PF₆)₂ 以 N,N-二甲基甲酰胺 为溶剂， 以51%的产率得到[Ru(2,2'-bipyridine)2(4,4'-bis(2,2'-bipyridinyl-5-carboxymethyl)biphenylene)Ru(2,2'-bipyridine)2](PF6)4
  参考文献：
  名称：

  Synthesis and properties of electrochemiluminescent dinuclear Ru(II) complexes assembled with ester-bridged bis(bipyridine) ligands

  摘要：

  New bridging ligands, such as bpy-(COOCH2)-bpy (BL1), mbpy-(CH2)(3)COOCH2-bpy (BL2), bpy-COO (CH2)(6)OOC-bpy (BL3), and bpy-COOCH2PhPhCH2OOC-bpy (BL4), have been synthesized and coordinated to [RuL2(acetone)(2)](PF6)(2) for various [Ru(L)(2)(BL)Ru(L)(2)](PF6)(4)-type dinuclear ruthenium complexes (where BL = BL1, BL2, BL3, BL4, and L = bpy, o-phen, DTDP). Their electrochemical redox potentials, spectroscopic properties and relative electrochemiluminescence were investigated in detail. All dinuclear Ru complexes exhibit MLCT (metal-to-ligand charge transfer) absorption and luminescence bands in the visible region. ECL intensities of dinuclear ruthenium(II) complexes were affected not only by the kind of the ligand, but also by the nature of the bridging ligand. Among the synthesized dinuclear Ru complexes, [(DTDP)(2)Ru(mbpy)-(CH2)(3)COOCH2-(bpy) Ru(DTDP)(2)](PF6)(4) exhibited enhanced ECL intensities as high as 2.9 times greater than that of the reference, [Ru(o-phen)(3)](PF6)(2) . (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.08.002