(hydrido)(PMe3)4(p-methoxyphenolato)ruthenium | 157471-80-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (hydrido)(PMe3)4(p-methoxyphenolato)ruthenium
• CAS: 157471-80-2
• 化学式: C₁₉H₄₄O₂P₄Ru
• 分子量: 529.522
• InChiKey: LVLJGRNTTIVGIR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (hydrido)(PMe3)4(p-methoxyphenolato)ruthenium 、 三苯基硅烷 以 全氘代环己烷 为溶剂， 以>99的产率得到(trihydrido)(PMe3)3(triphenylsilano)ruthenium
  参考文献：
  名称：

  A study of the silanolysis of triphenylsilane and p-methoxyphenol catalysed by (PMe3)4RuH2 and the stoichiometric reactions of (PMe3)4Ru(H)(OC6H4-p-X) (X = Me, OMe) with Ph3SiH

  摘要：

  The ruthenium dihydride cis-(PMe3)4Ru(H)2 (1) catalytically converts Ph3SiH and HOC6H4-p-OMe to the alcoholysis products Ph3SiOC6H4-p-OMe and H-2. This reaction was studied kinetically and the rate was found to be first-order in [1], first-order in [HOC6H4-P-OMe], and independent of [Ph3SiH]. The stoichiometric reactions of cis-(PMe3)4Ru(H)(OC6H4-p-X) (X = Me, 2; OMe, 3) with Ph3SiH were also studied in the presence of varying amounts of free para-substituted phenol. In the absence of the free phenol, compounds 2 and 3 reacted with Ph3SiH to give Ph3SiOC6H4-p-X and a compound we believe to be (PMe3)3Ru(H)3(SiPh3) (4). In the presence of large amounts of phenol (> 10 equiv.), (PMe3)4Ru(H)2 (1) was formed. However, at intermediate concentrations of free phenol, compounds 2 and 3 exhibited divergent behavior. Complex 2 gave dihydride 1 in a reaction whose rate was found to be first-order in the concentration of the starting aryloxy hydride 2, first-order in phenol and independent of [Ph3SiH]. In contrast, complex 3 reacted with less than 0.5 equiv. of p-methoxyphenol to form 1, but when approximately 1 equiv. of p-methoxyphenol was added to the solution of 3 and Ph3SiH a mixture of trihydride 4 and dihydride 1 were formed. The mechanisms of these complicated transformations, and their potential relationship to the dihydride-catalyzed silanolysis reaction, are discussed.

  DOI：

  10.1016/0022-328x(94)80192-4
• 作为产物：
  描述：

  RuH(PMe3)3(η2-C2H4) 、 4-甲氧基苯酚 以 正戊烷 为溶剂， 以45%的产率得到(hydrido)(PMe3)4(p-methoxyphenolato)ruthenium
  参考文献：
  名称：

  A study of the silanolysis of triphenylsilane and p-methoxyphenol catalysed by (PMe3)4RuH2 and the stoichiometric reactions of (PMe3)4Ru(H)(OC6H4-p-X) (X = Me, OMe) with Ph3SiH

  摘要：

  The ruthenium dihydride cis-(PMe3)4Ru(H)2 (1) catalytically converts Ph3SiH and HOC6H4-p-OMe to the alcoholysis products Ph3SiOC6H4-p-OMe and H-2. This reaction was studied kinetically and the rate was found to be first-order in [1], first-order in [HOC6H4-P-OMe], and independent of [Ph3SiH]. The stoichiometric reactions of cis-(PMe3)4Ru(H)(OC6H4-p-X) (X = Me, 2; OMe, 3) with Ph3SiH were also studied in the presence of varying amounts of free para-substituted phenol. In the absence of the free phenol, compounds 2 and 3 reacted with Ph3SiH to give Ph3SiOC6H4-p-X and a compound we believe to be (PMe3)3Ru(H)3(SiPh3) (4). In the presence of large amounts of phenol (> 10 equiv.), (PMe3)4Ru(H)2 (1) was formed. However, at intermediate concentrations of free phenol, compounds 2 and 3 exhibited divergent behavior. Complex 2 gave dihydride 1 in a reaction whose rate was found to be first-order in the concentration of the starting aryloxy hydride 2, first-order in phenol and independent of [Ph3SiH]. In contrast, complex 3 reacted with less than 0.5 equiv. of p-methoxyphenol to form 1, but when approximately 1 equiv. of p-methoxyphenol was added to the solution of 3 and Ph3SiH a mixture of trihydride 4 and dihydride 1 were formed. The mechanisms of these complicated transformations, and their potential relationship to the dihydride-catalyzed silanolysis reaction, are discussed.

  DOI：

  10.1016/0022-328x(94)80192-4