(4-nitroimidazolium) [tetrachlorobis(5-nitroimidazole)ruthenium(III)] | 166101-19-5

• 英文名称: (4-nitroimidazolium) [tetrachlorobis(5-nitroimidazole)ruthenium(III)]
• CAS: 166101-19-5
• 化学式: C₃H₃N₃O₂*C₆H₆Cl₄N₆O₄Ru*H
• 分子量: 583.117
• InChiKey: JNBXJXUHMMLLBC-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (4-nitroimidazolium) [tetrachlorobis(5-nitroimidazole)ruthenium(III)] 、 四苯基氯化膦 以 甲醇 为溶剂， 生成 [PPh4] [tetrachlorobis(5-nitroimidazole)ruthenium(III)]
  参考文献：
  名称：

  Synthesis of the tetrachlorobis(5-nitroimidazole)ruthenium(III) anion and solution chemistry in water and methanol

  摘要：

  The (4-NO(2)ImH)(+) salt of the [RuCl4(5-NO(2)Im)(2)](-) anion was obtained by reacting 4-nitroimidazole (4-NO(2)Im) with activated RuCl3 in aqueous HCl solution. Crystallographic work on the corresponding [P(C6H5)(4)][RuCl4(5-NO(2)Im)(2)] compound (P2/c, a=7.896, b=7.823, c=27.027 Angstrom, beta=100.33 degrees, Z=2, R=0.054) revealed a trans-octahedral coordination about the metal and nitroimidazole binding as the 5-nitro tautomer. The H-1 NMR signals of the anion are broad and considerably displaced upfield by the paramagnetic Ru(III) centre, but they could be used to follow the solvolysis. One Cl- ligand was displaced by a solvent molecule over a period of days in D2O and in CD3OD, but higher solvolysis products were not observed. N6,N6-Dimethyladenine (DMAD) failed to react with [RuCl4(5-NO(2)Im)(2)](-) in D2O and did not perturb the normal aquation process. In CD3OD, a 1:1 complex [RuCl3(DMAD)(5-NO(2)Im)(2)] appeared slowly in a fresh solution, but much faster when DMAD was added to an aged solution, suggesting that the monosolvent species [RuCl3(CD3OD)(5-NO(2)Im)(2)] is actually undergoing substitution. The reaction of RuCl3 with 2-methyl-4(5)-nitroimidazole gave a mixture of at least four unidentified species which could not be separated, showing that the 2-methyl group plays a crucial role in the reactivity in these systems.

  DOI：

  10.1016/0020-1693(94)04400-p
• 作为产物：
  描述：

  盐酸 、 水合三氯化钌 、 4-硝基-3H-咪唑 以 乙醇 、 水 为溶剂， 生成 (4-nitroimidazolium) [tetrachlorobis(5-nitroimidazole)ruthenium(III)]
  参考文献：
  名称：

  Synthesis of the tetrachlorobis(5-nitroimidazole)ruthenium(III) anion and solution chemistry in water and methanol

  摘要：

  The (4-NO(2)ImH)(+) salt of the [RuCl4(5-NO(2)Im)(2)](-) anion was obtained by reacting 4-nitroimidazole (4-NO(2)Im) with activated RuCl3 in aqueous HCl solution. Crystallographic work on the corresponding [P(C6H5)(4)][RuCl4(5-NO(2)Im)(2)] compound (P2/c, a=7.896, b=7.823, c=27.027 Angstrom, beta=100.33 degrees, Z=2, R=0.054) revealed a trans-octahedral coordination about the metal and nitroimidazole binding as the 5-nitro tautomer. The H-1 NMR signals of the anion are broad and considerably displaced upfield by the paramagnetic Ru(III) centre, but they could be used to follow the solvolysis. One Cl- ligand was displaced by a solvent molecule over a period of days in D2O and in CD3OD, but higher solvolysis products were not observed. N6,N6-Dimethyladenine (DMAD) failed to react with [RuCl4(5-NO(2)Im)(2)](-) in D2O and did not perturb the normal aquation process. In CD3OD, a 1:1 complex [RuCl3(DMAD)(5-NO(2)Im)(2)] appeared slowly in a fresh solution, but much faster when DMAD was added to an aged solution, suggesting that the monosolvent species [RuCl3(CD3OD)(5-NO(2)Im)(2)] is actually undergoing substitution. The reaction of RuCl3 with 2-methyl-4(5)-nitroimidazole gave a mixture of at least four unidentified species which could not be separated, showing that the 2-methyl group plays a crucial role in the reactivity in these systems.

  DOI：

  10.1016/0020-1693(94)04400-p