[Ru(H)((μ-H)2-B(OC(CH3)2)2)(H2)(P(C6H11)3)2 | 433940-53-5

• 英文名称: [Ru(H)((μ-H)2-B(OC(CH3)2)2)(H2)(P(C6H11)3)2
• CAS: 433940-53-5
• 化学式: C₄₂H₈₃BO₂P₂Ru
• 分子量: 793.948
• InChiKey: BTIMHDVIUWKLKH-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  RuH2(H2)2(tricyclohexylphosphine)2 、 联硼酸频那醇酯 以 not given 为溶剂， 生成 [Ru(H)((μ-H)2-B(OC(CH3)2)2)(H2)(P(C6H11)3)2
  参考文献：
  名称：

  σ-Borane and Dihydroborate Complexes of Ruthenium

  摘要：

  Room temperature reaction of the bis(dihydrogen) complex RuH(2)(H(2))(2)(PCy(3))(2) (1) with excess pinacol borane (HBpin) generates the novel complex RuH[(mu-H)(2)Bpin](sigma-HBpin)(PCy(3))(2) (2) by loss of dihydrogen. Complex 2 was characterized spectroscopically and by X-ray crystallography. It contains two pinacolborane moieties coordinated in a different fashion, one as a dihydroborate (B-H distances : 1.58(3) and 1.47(3) A) and the other as a sigma-borane (B-H distance: 1.35(3) A). In addition, reaction of 1 with one equiv of HBpin yields total conversion to a new complex tentatively formulated as RuH[(mu-H)(2)Bpin](H(2))(PCy(3))(2) (3) on the basis of NMR data. In the presence of excess HBpin, 3 is converted to 2. Furthermore, under an atmosphere of dihydrogen, a C(7)D(8) solution of 2 rapidly converts to 3 and finally regenerates 1 over a much longer period. Thus, complex 3 is an intermediate in the formation of 2 from 1. In these processes the borane is eliminated as HBpin later hydrolyzed to BpinOBpin. Selective hydroboration of ethylene (3 bar) into C(2)H(5)Bpin is achieved using 1 or 2 as catalyst precursors in toluene, whereas in THF, competitive formation of the vinylborane C(2)H(3)Bpin (56% under 20 bar of C(2)H(4)) can be favored.

  DOI：

  10.1021/ja017429q