(RuH(CO)[(2,5-(t-Bu2PCH2)2C5H3)Ru(C5H5)])(B(3,5-(CF3)2C6H3)4) | 1247712-89-5

• 英文名称: (RuH(CO)[(2,5-(t-Bu2PCH2)2C5H3)Ru(C5H5)])(B(3,5-(CF3)2C6H3)4)
• CAS: 1247712-89-5
• 化学式: C₃₀H₄₉O₂P₂Ru₂*C₃₂H₁₂BF₂₄
• 分子量: 1569.03
• InChiKey: NHYFBHXNMXKSFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  一氧化碳 、 RuCl(CO)[{2,5-(but2PCH2)2C5H2}RuCp] 、 氢气 、 四(3,5-二(三氟甲基)苯基)硼酸钠 以 二氯甲烷 为溶剂， 以95%的产率得到(RuH(CO)[(2,5-(t-Bu2PCH2)2C5H3)Ru(C5H5)])(B(3,5-(CF3)2C6H3)4)
  参考文献：
  名称：

  Cationic Ruthenium Hydrido−Carbonyls Derived from Metallocene-Based Pincers: Unusual Rearrangements and H₂ Evolution with Formation of Cationic Ruthenium Metallocenylidenes

  摘要：

  Cationic ruthenium hydrido-carbonyls {RuH(CO)[(BuP)-Bu-t,CH,P-M]}BAr4F (M = Fe, 3; M = Ru, 4) (Ar-F = 3,5-(CF3)(2)C6H3) obtained in the reaction of H-2 with RuCl(CO)[P-tBu,C,P-M] (M = Fe, 1; M = Ru, 2) in the presence of NaBArF4 add CO smoothly, giving the corresponding dicarbonyl complexes {RuH(CO)(2)[P-tBu,CH,PM]}BAr4F (M = Fe, 11; M = Ru, 12). According to X-ray analysis of 11 and 12, addition of extra CO to complexes 3 and 4 leads to strengthening of the C(1)-H(1)center dot center dot center dot Ru(1) agostic interaction. Simultaneously, CO addition to 3 and 4 triggers a sequence (up to three steps) of unprecedented intramolecular rearrangements including migration of H atoms. First metallocenylidene complexes {Ru(CO)(2)[P-tBu,C,P-M]}BAr4F (M = Fe, 15; M = Ru, 16) were obtained in the course of these rearrangements accompanied by H-2 evolution.

  DOI：

  10.1021/om100667p