[((((CH3)3C)2PCH2Si(CH3)2)2N)Ru(η2-C5H4N)] | 863973-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [((((CH3)3C)2PCH2Si(CH3)2)2N)Ru(η2-C5H4N)]
• CAS: 863973-19-7
• 化学式: C₂₇H₅₆N₂P₂RuSi₂
• 分子量: 627.944
• InChiKey: UAUHMCVAJPCPHT-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  [((((CH3)3C)2PCH2Si(CH3)2)2N)Ru(η2-C5H4N)] 、 氢气 以 not given 为溶剂， 生成
  参考文献：
  名称：

  [(^tBu₂PCH₂SiMe₂)₂N]RuMe₂:  Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species

  摘要：

  The reaction of PNPRuCl (PNP = ((Bu2PCH2SiMe2)-Bu-iota)(2)N-) with excess MeLi at -78 degrees C, followed by addition of a one-electron oxidant, leads to the thermally stable (at 25 degrees C), low-spin, five-coordinate trivalent ruthenium complex PNPRuMe2, 1. For comparison PNPRuI2, 2, was also synthesized and shown equally to be a low-spin d(5) complex. Compound 1 reacts with NO to produce the diamagnetic ruthenium(II) complex PNPRuMe2(NO), 3, with H-2 to give PNPRu(H)(3), 5, and with excess CO to produce PNPRu(COMe)CO, 6. The unusual stability of 1 is suggested to arise from the steric encapsulation of the radical center provided by the extremely bulky pincer ligand, the low coordination number (5), and a non-redox-innocent amide functionality.

  DOI：

  10.1021/om0508536
• 作为产物：
  描述：

  吡啶 、 以 吡啶 为溶剂， 生成 [((((CH3)3C)2PCH2Si(CH3)2)2N)Ru(η2-C5H4N)]
  参考文献：
  名称：

  [(^tBu₂PCH₂SiMe₂)₂N]RuCH₃:  The Origin of Extremely Facile, Double H−C(sp³) Activation Generating a “Hydrido-Carbene” Complex

  摘要：

  The four-coordinate compound [(tBu2PCH2SiMe2)2N]RuCH3 undergoes rapid double H-C(sp3) activation at -78 degrees C to generate a "hydrido-carbene" complex. DFT calculations suggest that the origin of the low barrier to methane elimination is an alpha-agostic interaction in the low-lying singlet state of the highly unsaturated (PNP)RuMe. The hydrido-carbene complex can be viewed as a "masked" resting state of the four-coordinate cyclometalated alkyl complex, [(tBu2PCH2SiMe2)N(Me2SiCH2P(tBu)(C(CH3)2CH2)]Ru, where hydride migration from metal to carbon occurs before any subsequent reactivity.

  DOI：

  10.1021/ja052973a