4,4'-bis(cholesteroxycarbonyl)-2,2'-bipyridine

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 4,4'-bis(cholesteroxycarbonyl)-2,2'-bipyridine
• 英文别名: bccbpy；[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-[4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]pyridin-2-yl]pyridine-4-carboxylate
• 化学式: C₆₆H₉₆N₂O₄
• 分子量: 981.499
• InChiKey: SYBWYTQXICIXIY-IUAUFRFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.2
• 重原子数：
  72
• 可旋转键数：
  17
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 4,4'-bis(cholesteroxycarbonyl)-2,2'-bipyridine 、 2,2'-联吡啶-4,4'-二甲酸 、 potassium thioacyanate 在 硝酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [Ru(4,4'-dicarboxy-2,2'-bipyridine)(4,4'-bis(cholesteroxycarbonyl)-2,2'-bipyridine)(NCS)2]
  参考文献：
  名称：

  Artificial photosynthesis based on dye-sensitized nanocrystalline TiO2 solar cells

  摘要：

  A new series of amphiphilic heteroleptic ruthenium(II) sensitizers [Ru(H(2)dcbpy)(dhbpy)(NCS)(2)] (C1), [Ru(H(2)dcbpy)(bccbpy)(NCS)(2)] (C-2), [Ru(H(2)dcbpy)(mpubpy)(NCS)(2)] (C-3), [Ru(H(2)dcbpy)(bhcbpy)(NCS)(2)] (C-4) have been synthesized and fully characterized by UV Vis, emission, NMR and cyclic voltammetric studies (where dhbpy = 4,4'-dihexyl-2,2'-bipyridine, bccbpy = 4,4'-bis(cholesteroxycarbonyl)2,2'-bipyridine, mpubpy = 4-methyl-4'-perfluoro-1H, 1H, 2H, 2H, 3H, 3H-undecyl-2,2'-bipyridine, bhcbpy = 4,4'-Bis(hexylcarboxamido)2,2'-bipyridine). The amphiphilic amide heteroleptic ruthenium(II) sensitizers, self-assembled on TiO2 surface from ethanol solution, reveal efficient sensitization in the visible window range yielding approximate to 80% incident photon-to-current efficiencies (IPCE). Under standard AM 1.5 sunlight, the C4 sensitizer gave 15 mA/cm(2) short circuit photocurrent density, 0.66 fill factor and an open circuit voltage of 0.75 V, corresponding to an overall conversion efficiency of 7.4%. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.05.061