nido-2,4-(η5-C5Me5Ru)2B6H10Cl2 | 852609-38-2

• 英文名称: nido-2,4-(η5-C5Me5Ru)2B6H10Cl2
• CAS: 852609-38-2
• 化学式: C₂₀H₄₀B₆Cl₂Ru₂
• 分子量: 618.45
• InChiKey: LUGXHLIZOVGOBC-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

• 作为产物：
  描述：

  nido-2,4-(η5-C5Me5Ru)2B6H12 、 Dichloroborane-dimethylsulfide 以 甲苯 为溶剂， 以82%的产率得到nido-2,4-(η5-C5Me5Ru)2B6H10Cl2
  参考文献：
  名称：

  Insertion of B−X (X = Cl, SMe₂) Moieties into Ruthenaborane Frameworks:  Synthesis and Characterization of (η⁵-C₅Me₅Ru)₂(μ-H)B₄H_mCl_n, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe₂)-2,3-(η⁵-C₅Me₅Ru)₂(μ₃-H)B₅HCl₃, and closo-2,3-(η⁵-C₅Me₅Ru)₂B₆H₃Cl₃

  摘要：

  The reaction of nido-1,2-(eta(5)-C5Me5Ru)(2)(mu-H)(2)B3H7 (1) with the dichloroborane BHCl2 center dot SMe2 results in the formation of three sets of B-Cl inserted metallaborane products: nido-1,2(eta(5)-C5Me5Ru)(2)(mu-H)B4H7Cl2 (2), pileo-2,3-(eta(5)-C5Me5Ru)(2)(mu-H)B4H5Cl2 (three geometric isomers, 3-5), and pileo-2,3-(eta(5)-C5Me5Ru)(2)(mu-H)B4H4Cl3 (a pair of geometric isomers, 6 and 7). When the same reaction was carried out under more forcing conditions, three new metallaborane compounds, closo-1-(SMe2)-2,3-(eta(5)-C5Me5Ru)(2)(mu(3)-H)B5HCl3 (a pair of geometric isomers, 8 and 9) and closo-2,3-(eta(5)-C5Me5Ru)(2)B6H3Cl3 (10), were isolated in low yield in addition to 2-7. Compounds 8 and 9 exhibit a capped-octahedral geometry, and 10 exhibits a seven-sep (skeletal electron pair) bicapped-octahedral geometry. Reaction of nido-2,4-(eta(5)-C5Me5Ru)(2)B6H12 and nido-2,3-(eta(5)-C5Me5Ru)(2)B8H12 with BHCl2 center dot SMe2 results in substitution of terminal H by Cl, producing nido-2,4-(eta(5)-C5Me5Ru)(2)B6H10Cl2 (11) and nido-2,3-(eta(5)-C5Me5Ru)(2)B8H11Cl (12) in 82% and 75% yields, respectively.

  DOI：

  10.1021/om050083y