[ruthenium(hydride)(OPh)(carbonyl)(PPh3)2] | 1450823-67-2

• 英文名称: [ruthenium(hydride)(OPh)(carbonyl)(PPh3)2]
• CAS: 1450823-67-2
• 化学式: C₆₁H₅₁O₂P₃Ru
• 分子量: 1010.07
• InChiKey: XEMPBUDBVUPWRF-UHFFFAOYSA-M

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：

  [RuHCl(CO)(PPh₃)₃] 、 potassium phenolate 以 四氢呋喃 为溶剂， 反应 2.0h， 以91%的产率得到[ruthenium(hydride)(OPh)(carbonyl)(PPh3)2]
  参考文献：
  名称：

  Exploring the Variable Hapticity of the Arylamide Ligand: Access to σ-Amidophenyl and π-Cyclohexadienylimine Structures

  摘要：

  A study of the preference for sigma vs pi coordination of the arylamido ligand to a late transition metal shows that LiNPh2 reacts with RuHCl(PPh3)(3) (1) to yield the bent-seat piano-stool complex RuH[(eta(5)-C6H5)NPh](PPh3)(2) (2a) but with RuHCl(CO)(PPh3)(3) (3) to yield the sigma-amide RuH(eta(1)-NPh2)(CO)(PPh3)(2) (4). The stability of the sigma-bound NPh2 ligand in 4 reflects the pi acidity of the CO ligand, which inhibits PPh3 loss. Carbonylation of 2a at 50 degrees C affords Ru(CO)(3)(PPh3)(2) (8) and HNPh2, suggesting sequential pi -> sigma a isomerization and reductive elimination. The phenoxide ligand behaves similarly: RuH(eta(5)-C6H5O)(PPh3)(2) (2b) is formed from 1 but RuH(eta(1)-OPh)(CO)(PPh3)(3) (5) is formed from 3, and carbonylation of 2b gives 8 and phenol, although more forcing conditions are required (90 degrees C). The crystal structure of 2a is reported.

  DOI：

  10.1021/om4005252