| 130063-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 130063-77-3
• 化学式: C₄₃H₃₈N₄OP₂Ru
• 分子量: 789.818
• InChiKey: WAZRMVHDQWSIID-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

• 作为反应物：
  描述：

  bis{iridium(μ-methoxy)(tetrafluorobenzobarrelene)} 、 以 丙酮 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  间接协同效应导致在含偶氮酸酯作为桥联配体的双金属均相催化剂中产生协同作用

  摘要：

  The binuclear compounds [H(CO)(PPh3)2Ru(mu-bim)Ir(COD)] (1) (bim = 2,2'-biimidazolate, COD = 1,5-cyclooctadiene) and [H(CO)(PPh3)2Ru(mu-pz)2Ir(TFB)] (2) (pz = pyrazolate, TFB = tetrafluorobenzobarrelene) are more active catalysts for the hydrogenation of cyclohexene than the mononuclear parent compounds [RuH(Hbim)(CO)(PPh3)2], [Ir(Hbim)(COD)], [RuH(pz)(CO)(Hpz)(PPh3)2], and [Ir(TFB)-(Hpz)2]BF4. In the presence of 1, the reaction rate is first order with respect to the concentration of 1 and cyclohexene, second order with respect to hydrogen pressure, and inversely proportional to the concentration of added phosphine. For the reaction catalyzed by 2, the experimental data are in accordance with a rate expression of the form -d[cyclohexene]/dt = k[2][cyclohexene]P(H2) [P(H2) = hydrogen pressure]. On the basis of the kinetic results and experimental evidence, the origin of the catalytic synergism is assigned to indirect cooperative effects between the metallic centers of the binuclear complexes. The kinetic investigation of the hydrogenation of cyclohexene catalyzed by [Ir(mu-pz)(TFB)]2 (3) is also reported, suggesting that the full catalytic cycle involves binuclear species.

  DOI：

  10.1021/om00047a039
• 作为产物：
  描述：

  吡唑 、 在 氢氧化钾 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  间接协同效应导致在含偶氮酸酯作为桥联配体的双金属均相催化剂中产生协同作用

  摘要：

  The binuclear compounds [H(CO)(PPh3)2Ru(mu-bim)Ir(COD)] (1) (bim = 2,2'-biimidazolate, COD = 1,5-cyclooctadiene) and [H(CO)(PPh3)2Ru(mu-pz)2Ir(TFB)] (2) (pz = pyrazolate, TFB = tetrafluorobenzobarrelene) are more active catalysts for the hydrogenation of cyclohexene than the mononuclear parent compounds [RuH(Hbim)(CO)(PPh3)2], [Ir(Hbim)(COD)], [RuH(pz)(CO)(Hpz)(PPh3)2], and [Ir(TFB)-(Hpz)2]BF4. In the presence of 1, the reaction rate is first order with respect to the concentration of 1 and cyclohexene, second order with respect to hydrogen pressure, and inversely proportional to the concentration of added phosphine. For the reaction catalyzed by 2, the experimental data are in accordance with a rate expression of the form -d[cyclohexene]/dt = k[2][cyclohexene]P(H2) [P(H2) = hydrogen pressure]. On the basis of the kinetic results and experimental evidence, the origin of the catalytic synergism is assigned to indirect cooperative effects between the metallic centers of the binuclear complexes. The kinetic investigation of the hydrogenation of cyclohexene catalyzed by [Ir(mu-pz)(TFB)]2 (3) is also reported, suggesting that the full catalytic cycle involves binuclear species.

  DOI：

  10.1021/om00047a039