1,2,3,4,5-pentamethylcyclopenta-1,3-diene;prop-2-yn-1-ol;ruthenium(3+) monohydride;tetraphenylboranuide;triethylphosphane | 251480-54-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;prop-2-yn-1-ol;ruthenium(3+) monohydride;tetraphenylboranuide;triethylphosphane
• CAS: 251480-54-3
• 化学式: C₂₄H₂₀B*C₂₅H₄₉OP₂Ru
• 分子量: 847.915
• InChiKey: VNUNQGYVKRBYLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.37
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5-pentamethylcyclopenta-1,3-diene;prop-2-yn-1-ol;ruthenium(3+) monohydride;tetraphenylboranuide;triethylphosphane 以 solid 为溶剂， 以100%的产率得到[Cp(*)(triethylphosphine)2Ru(=C=CH-CH2OH)][tetraphenylborate]
  参考文献：
  名称：

  Activation of Alkynols by Half-Sandwich Ruthenium Complexes:  Isolation of Hydroxyalkynyl(hydrido) and Hydroxyvinylidene Derivatives

  摘要：

  The complex [Cp*RuCl(PEt3)(2)] (Cp* = C5Me5) reacts with 2-propyn-l-ol derivatives, HC=CC(OH)RR' (R = R'= H; R = R' = CH3; R = CH3, R' = Ph), in MeOH in, the presence of NaBPh4 yielding the metastable 3-hydroxyalkynyl hydride complexes [Cp*Ru(H)(C=CC-(OH)RR')(PEt3)(2)][BPh4], intermediates in the formation of the corresponding 3-hydroxyvinylidene complexes, to which these compounds rearrange both in solution and in the solid state.

  DOI：

  10.1021/om980970j
• 作为产物：
  描述：

  Cp(*)(triethylphosphine)2RuCl 、 四苯硼钠 、 2-丙炔-1-醇 以 甲醇 为溶剂， 以91%的产率得到1,2,3,4,5-pentamethylcyclopenta-1,3-diene;prop-2-yn-1-ol;ruthenium(3+) monohydride;tetraphenylboranuide;triethylphosphane
  参考文献：
  名称：

  Activation of Alkynols by Half-Sandwich Ruthenium Complexes:  Isolation of Hydroxyalkynyl(hydrido) and Hydroxyvinylidene Derivatives

  摘要：

  The complex [Cp*RuCl(PEt3)(2)] (Cp* = C5Me5) reacts with 2-propyn-l-ol derivatives, HC=CC(OH)RR' (R = R'= H; R = R' = CH3; R = CH3, R' = Ph), in MeOH in, the presence of NaBPh4 yielding the metastable 3-hydroxyalkynyl hydride complexes [Cp*Ru(H)(C=CC-(OH)RR')(PEt3)(2)][BPh4], intermediates in the formation of the corresponding 3-hydroxyvinylidene complexes, to which these compounds rearrange both in solution and in the solid state.

  DOI：

  10.1021/om980970j