4'-(4-(5-(pyridin-4-yloxy)pentyloxy)styryl)-4-methyl-2,2'-bipyridine | 948997-75-9

• 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-(5-(pyridin-4-yloxy)pentyloxy)styryl)-4-methyl-2,2'-bipyridine
• CAS: 948997-75-9
• 化学式: C₂₉H₂₉N₃O₂
• 分子量: 451.568
• InChiKey: LHUDVPQRVWUFDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.65
• 重原子数：
  34.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  57.13
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 4'-(4-(5-(pyridin-4-yloxy)pentyloxy)styryl)-4-methyl-2,2'-bipyridine 、 2,2'-联吡啶-4,4'-二甲酸 以 N,N-二甲基甲酰胺 为溶剂， 以52%的产率得到[Ru(4'-(4-(5-(pyridin-4-yloxy)pentyloxy)styryl)-4-methyl-2,2'-bipyridine)(2,2'-bipyridyl-4,4-dicarboxylic acid)(NCS)2]
  参考文献：
  名称：

  New ruthenium sensitizers containing styryl and antenna fragments

  摘要：

  Amphiphilic ligands 4'-((4-(5-pyridin-4-yloxy)pentyloxy)styryl)-4-methyl-2,2'-bipyridine (L1), 4,4'-bis((E)-4-(5-(pyridin -4-yloxy) pen tyloxy)styryl)-2,2'-bipyridine (L2), 4'-(4-(5-(4'-cyano-4-biphenoxy)pentyloxy)styryl)-4-methyl-2,2'-bipyridine (L3), and 4'-(4-(5-(zinctetrakis-5,10,15-tritolyl-20-(4-hydroxyphenyl)porphyrin)pentyloxy)styryl)-4-methyl-2,2'-bipyridine (L4) and their heteroleptic ruthenium(11) complexes of the types [Ru(Ll)(L)(NCS)(2)] (D20), [Ru(L2)(L)(NCS)21 (D21), [Ru(L3)(L)(NCS)21 (D22), and [Ru(L4)(L) (NCS)(2)] (D23) (where L = 4,4'-bis(carboxylic acid) -2,2'-bipyridine) have been synthesized, as photosensitizers for nanocrystalline dye-sensitized solar cells. All complexes D20-D23 exhibit a broad MLCT band around 520-530 nm in DMF and an emission band around 740-790 nm in DMF. We have studied photovoltaic performances based on the newly synthesized dyes. Under standard AM 1.5 sunlight, the dye D20 gave a short-circuit photocurrent density of 13.31 mA/cm(2), an open-circuit voltage of 0.64 V, and a fill factor of 0.68, corresponding to an overall conversion efficiency of 5.81%. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.04.050