[RuCl3(imidazole)2(N6,N6-dimethyladenine)] | 765247-66-3

• 英文名称: [RuCl3(imidazole)2(N6,N6-dimethyladenine)]
• CAS: 765247-66-3
• 化学式: C₁₃H₁₇Cl₃N₉Ru
• 分子量: 506.767
• InChiKey: LOXFDAVZTQLCCA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  6-二甲基氨基嘌呤 、 ICR 以 甲醇 为溶剂， 生成 [RuCl3(imidazole)2(H2O)] 、 [RuCl3(imidazole)2(N6,N6-dimethyladenine)]
  参考文献：
  名称：

  Reactions of the Tetrachlorobis(imidazole)ruthenium(III) and Pentachloro(imidazole)ruthenium(III) Anions with Imidazole and N6,N6-Dimethyladenine

  摘要：

  The reactions of (ImH)(2)[RuCl(5)Im] (Im = imidazole) in water were monitored by H-1 NMR spectroscopy. Fast initial aquation of [RuCl(5)Im](2-) to [RuCl4(H2O)Im](-) is followed by successive substitutions along two pathways: slow displacement of extra Cl- ligands by water to form higher aquation products and attack of an Im ligand to give [RuCl(4)Im(2)](-), which then aquates. In the presence of 2 equiv of added Im, (ImH)[RuCl(4)Im(2)] gives mixtures of complexes containing three to four Im per Ru, whereas 20 equiv lead to species with five to six Im per Ru. Imidazole-rich species coexist in solution with the starting [RuCl(4)Im(2)](-) ion. X-ray diffraction work on [Ru(OH)(2)Im(4)][RuCl(4)Im(2)] (monoclinic, P2(1)/c, a = 13.126 Angstrom, b = 10.8833 Angstrom, c = 10.6110 Angstrom, beta = 108.280, R = 0.045) shows the presence of octahedral trans-[Ru(OH)(2)Im(4)](+) and trans-[RuCl(4)Im(2)](-) connected by hydrogen bonding. Many complexes and aquation products successively appear when Im is reacted with (ImH)(2)[RuCl(5)Im], and species with five to six Im ligands per Ru are again obtained with 20 equiv of added Im. An end product is isolated as yellow crystals and shown by X-ray diffraction (hexagonal, P6(3)/m, a = 8.9756 Angstrom, c = 20.880 Angstrom, R = 0.023) to be the [RuIm(6)]CO3 . 5H(2)O compound, containing the reduced Ru(II) octahedral [RuIm(6)](2+). In the presence of N6,N6-dimethyladenine (DMAD), [RuCl(4)Im(2)](-) in water slowly forms the [RuCl(3)Im(2)(DMAD)] complex, in which the adenine ligand is monodentate.

  DOI：

  10.1021/ic00128a017