[Na][Ru{κ(N2)-N3C2(CO2Me)2}2{κ3(N,N,N)-tris(pyrazolyl)methanesulfonate}(PPh3)] | 1428867-62-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: [Na][Ru{κ(N2)-N3C2(CO2Me)2}2{κ3(N,N,N)-tris(pyrazolyl)methanesulfonate}(PPh3)]
• 英文别名: [Na][Ru{κ(N²)-N₃C₂(CO₂Me)₂}₂{κ³(N,N,N)-tris(pyrazolyl)methanesulfonate}(PPh₃)]；[Na][Ru{κ(N²)-N₃C₂(CO₂Me)₂}₂{κ³(N,N,N)-Tpms}(PPh₃)]
• CAS: 1428867-62-2
• 化学式: C₄₀H₃₆N₁₂O₁₁PRuS*Na
• 分子量: 1047.9
• InChiKey: GRRIWEHRZAXFAT-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：

  [Na][Ru(azide)2{κ3(N,N,N)-tris(pyrazolyl)methanesulfonate}(PPh3)] 、 丁炔二酸二甲酯 以 丙酮 为溶剂， 反应 3.0h， 以51%的产率得到[Na][Ru{κ(N2)-N3C2(CO2Me)2}2{κ3(N,N,N)-tris(pyrazolyl)methanesulfonate}(PPh3)]
  参考文献：
  名称：

  1,3-Dipolar Cycloadditions of Ruthenium(II) Azido Complexes with Alkynes and Nitriles

  摘要：

  The diazido complex [Na][Ru-(N-3)(2){kappa(3)(N,N,N)-Tpms}(PPh3)] (1) (Tpms = tris(pyrazolyl)methanesulfonate) has been synthesized, and its reactivity toward dipolarophiles has been investigated. Thus, the reaction of 1 with alkynes leads to complexes with one or two triazolate ligands depending on the alkyne and the reaction conditions. Complex 1 also reacts with nitriles. Thus, the reaction with RCN (R = Me, Ph) leads to the substitution products [Ru(N-3)(NCR){kappa(3)(N,N,N)-Tpms}(PPh3)]. However, when fumaronitrile is used, a complex containing a new kappa(2)(N-1,N-3)-5-(1,2,3-triazol-4-yl)-1,2,3,4-tetrazolate ligand is obtained as the result of two consecutive cycloaddition reactions. The mechanism for this unusual reaction has been unambiguously established through the isolation of the intermediate complex resulting from a first cycloaddition between a coordinated azide and the C=C double bond.

  DOI：

  10.1021/ic302264t