[Ru(NO)(H2O)(pyridine-2-carboxylate)]ClO4 | 100787-49-3

• 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: [Ru(NO)(H2O)(pyridine-2-carboxylate)]ClO4
• 英文别名: cis-[Ru(NO)(H2O)(pyridine-2-carboxylato)2]ClO4；cis-[Ru(NO)(H2O)(pyca)2]ClO4
• CAS: 100787-49-3；171039-12-6；447451-60-7
• 化学式: C₁₂H₁₀N₃O₆Ru*ClO₄
• 分子量: 492.748
• InChiKey: NTBATLIARWPYKL-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：

  [Ru(NO)(H2O)(pyridine-2-carboxylate)]ClO4 、 乙腈 以 乙腈 为溶剂， 以75%的产率得到cis-[Ru(NO)(CH3CN)(pyridine-2-carboxylato)2]ClO4
  参考文献：
  名称：

  双（2-吡啶甲酸羧基）亚硝酰基钌配合物的顺-反几何异构化及电化学单电子还原

  摘要：

  摘要合成了顺式[Ru（NO）（CH3CN）（pyca）2]和反式-[Ru（NO）（OH）（pyca）2]（pyca = 2-吡啶甲酸），并通过X射线晶体学表征。研究了顺式[[Ru（NO）（CH3CN）（pyca）2]和顺式[Ru（NO）（CH3O）（pyca）2]在乙腈中的电化学行为。这些络合物在CH3CN中显示出两个还原过程。在第一个还原过程的电势下，在甲醇-乙腈混合溶液中进行顺-[Ru（NO）（CH3O）（pyca）2]的受控电势电解。从电解溶液中分离出反式[Ru（NO）（CH3O）（pyca）2]，并通过IR和CV对其进行表征。顺式-反式几何变化反应发生在顺式[Ru（NO）（CH3O）（pyca）2]的电化学单电子还原中。

  DOI：

  10.1016/j.poly.2007.04.018
• 作为产物：
  描述：

  高氯酸 、 cis-[Ru(NO)(NO2)(pyridine-2-carboxylate)] 、 sodium perchlorate 、 水 以 高氯酸 为溶剂， 以59%的产率得到[Ru(NO)(H2O)(pyridine-2-carboxylate)]ClO4
  参考文献：
  名称：

  Redox- and Thermally-Induced Nitro-Nitrito Linkage Isomerizations of Ruthenium(II) Complexes Having Nitrosyl as a Spectator Ligand

  摘要：

  Three new nitro-nitrito isomeric pairs are prepared and characterized as cis-[Ru(NO)X(2,2'-bpy)(2)](2+), Cis-[Ru-(NO)X(ppca)(2)], and cis-[Ru(NO)X(2,2'-bpy)(py)(2)](2+) (X = ONO, NO2; 2,2'-bpy = 2,2'-bipyridine; pyca = pyridine-2-carboxylate; py = pyridine). Molecular structures of the isomers are established by X-ray structure studies, except for cis-[Ru(NO)(ONO) (pyca)(2)]. Redox-induced linkage isomerization occurs in cis-[Ru(NO)X(2,2'-bpy)-py)(2)](2+) (X = ONO, NO2); the nitrito isomer is capable of being interchanged to the nitro isomer, via a one-electron redox process of the (RuNO)(3+) moiety. Thermally-induced isomerization also occurs, with different isomerization patterns, depending on the spectator ligands: cis-[Ru(NO)X(2,2'-bpy)(2)](2+) gave an equilibrium mixture of the nitro and the nitrito isomers; in cis-[Ru(NO)X(pyca)(2)], the nitrito isomer changed to the nitro isomer; contrastively, the nitro isomer of cis-[Ru(NO)X(2,2'-bpy) (py)(2)](2+) converted to the nitrito isomer. Some mechanistic investigations about the isomerization reactions were carried out using various N-15-substituted complexes; no oxygen exchange reaction between the nitrosyl and the nitro (nitrito) ligands was found.

  DOI：

  10.1021/ic00128a013