[Ru(CHC(PPh3))C(OH)(2-Py)Cl(PPh3)2]Cl | 1443430-76-9

• 英文名称: [Ru(CHC(PPh3))C(OH)(2-Py)Cl(PPh3)2]Cl
• 英文别名: [Ru(CHC(PPh₃))C(OH)(2-Py)Cl(PPh₃)₂]Cl
• CAS: 1443430-76-9
• 化学式: C₆₂H₅₂ClNOP₃Ru*Cl
• 分子量: 1092.0
• InChiKey: AZXICNXOEBEKNX-QSQMUHTISA-L

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

• 作为反应物：
  描述：

  tetrafluoroboric acid 、 [Ru(CHC(PPh3))C(OH)(2-Py)Cl(PPh3)2]Cl 在 氯化铵 作用下， 以 氯仿 为溶剂， 反应 6.0h， 以90%的产率得到[Ru(CHC(PPh₃)CH(2-Py))Cl₂PPh₃]BF₄
  参考文献：
  名称：

  Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization

  摘要：

  In the presence of the acid HBF4, 3-alkenyl-2-phosphonium indolizines 3a-c can be produced respectively by adding PhC CCOCH3 (2a), CH3OCOC CCOOCH3 (2b), and CH3CH2C CCOCH3 (2c) to a mixture of ruthenium complex RuCl2(PPh3)(3) and the propargyl alcohol (2-Py)CH(OH)C CH (1). We carefully investigated the mechanism of this reaction by means of structurally characterizing two key intermediates, ruthenium vinyl (4) and ruthenium carbene (5), and by deuterium-labeling experiments. A plausible mechanism is proposed, which involves addition of a proton to an alkyne carbon and the insertion of an alkyne into the C alpha bond of an alkenylcarbene group, followed by an alpha-H elimination and reductive elimination.

  DOI：

  10.1021/om400372w
• 作为产物：
  描述：

  1-(2-吡啶基)-2-丙炔-1-醇 、 tris(triphenylphosphine)ruthenium(II) chloride 在 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以75%的产率得到[Ru(CHC(PPh3))C(OH)(2-Py)Cl(PPh3)2]Cl
  参考文献：
  名称：

  Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization

  摘要：

  In the presence of the acid HBF4, 3-alkenyl-2-phosphonium indolizines 3a-c can be produced respectively by adding PhC CCOCH3 (2a), CH3OCOC CCOOCH3 (2b), and CH3CH2C CCOCH3 (2c) to a mixture of ruthenium complex RuCl2(PPh3)(3) and the propargyl alcohol (2-Py)CH(OH)C CH (1). We carefully investigated the mechanism of this reaction by means of structurally characterizing two key intermediates, ruthenium vinyl (4) and ruthenium carbene (5), and by deuterium-labeling experiments. A plausible mechanism is proposed, which involves addition of a proton to an alkyne carbon and the insertion of an alkyne into the C alpha bond of an alkenylcarbene group, followed by an alpha-H elimination and reductive elimination.

  DOI：

  10.1021/om400372w