[(Cp(*)Ru)2(Cp(*)Ru(μ3-η2:η2-CHCMe=CH-(13)CH=(13)CH-))(μ3-CH)]PF6 | 1015037-49-6

• 英文名称: [(Cp(*)Ru)2(Cp(*)Ru(μ3-η2:η2-CHCMe=CH-(13)CH=(13)CH-))(μ3-CH)]PF6
• CAS: 1015037-49-6
• 化学式: C₃₇H₅₃Ru₃*F₆P
• 分子量: 947.98
• InChiKey: LIXWVVCBONCXIX-PMIVIWBMSA-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：

  [(Cp(*)Ru)2(Cp(*)Ru(μ3-η2:η2-CHCMe=CH-(13)CH=(13)CH-))(μ3-CH)]PF6 以 氘代甲醇 为溶剂， 生成 [(Cp(*)Ru)2(Cp(*)Ru(μ3-η3:η2-(13)CHCHCMe-CH=(13)CH-))(μ3-CH)](1+)
  参考文献：
  名称：

  Insertion of Acetylene and Nitriles into a Ru−C Bond of a Dicationic Triruthenium Complex Having a μ₃-η³-C₃ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core

  摘要：

  A triruthenium complex having a mu(3)-ruthenacyclohexadienyl moiety, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-CHCMe=CH-CH=CH-)}(mu(3)-CH)](+) (9), was synthesized by the reaction of an equilibrating mixture of dicationic complexes having a mu(3)-eta(3)-C-3 ring, [(Cp*Ru)(3)(mu(3)-eta(3)-C3H2Me)(mu(3)-CH)(mu-H)](2+) (2a and 2b), with acetylene. The protonation of 9 resulting in the formation of a dicationic mu(3)-ruthenacyclohexadienyl complex, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-CH-CMe=CHCH=CH-)}(mu(3)-CH)(mu-H)](2+).(10), strongly indicates that the hydrido ligand of 2 was removed as a proton after the six-membered metallacycle was formed by the insertion of an acetylene molecule into a Ru-C bond. The thermolysis of 9 resulted in an isomerization of the metallacycle moiety via the formation of a mu(3)-cyclopentadienyl intermediate and quantitatively afforded a mu(3)-4-methylruthenacyclohexadienyl complex, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-CHCHCMe=CH-CH=CH-)}(mu(3)-CH)](+) (13). Nitriles also inserted into a Ru-C bond of 2 and afforded a series of dicationic 2-azaruthenacyclohexadienyl complexes, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-NH=CR-CHCMeCH-)}(mu(3)-CH)](2+) (18a: R = Me, 18b: R = Et, 18c: R = Ph).

  DOI：

  10.1021/om701066b
• 作为产物：
  描述：

  ferrocenium hexafluorophosphate 、 ((η5-C5Me5)Ru)3(μ-H)(μ3-η1:η3:η1-CHCMeCH)(μ3-CH) 、 乙炔 以 二氯甲烷 为溶剂， 生成 [(Cp(*)Ru)2(Cp(*)Ru(μ3-η2:η2-CHCMe=CH-(13)CH=(13)CH-))(μ3-CH)]PF6
  参考文献：
  名称：

  Insertion of Acetylene and Nitriles into a Ru−C Bond of a Dicationic Triruthenium Complex Having a μ₃-η³-C₃ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core

  摘要：

  A triruthenium complex having a mu(3)-ruthenacyclohexadienyl moiety, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-CHCMe=CH-CH=CH-)}(mu(3)-CH)](+) (9), was synthesized by the reaction of an equilibrating mixture of dicationic complexes having a mu(3)-eta(3)-C-3 ring, [(Cp*Ru)(3)(mu(3)-eta(3)-C3H2Me)(mu(3)-CH)(mu-H)](2+) (2a and 2b), with acetylene. The protonation of 9 resulting in the formation of a dicationic mu(3)-ruthenacyclohexadienyl complex, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-CH-CMe=CHCH=CH-)}(mu(3)-CH)(mu-H)](2+).(10), strongly indicates that the hydrido ligand of 2 was removed as a proton after the six-membered metallacycle was formed by the insertion of an acetylene molecule into a Ru-C bond. The thermolysis of 9 resulted in an isomerization of the metallacycle moiety via the formation of a mu(3)-cyclopentadienyl intermediate and quantitatively afforded a mu(3)-4-methylruthenacyclohexadienyl complex, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-CHCHCMe=CH-CH=CH-)}(mu(3)-CH)](+) (13). Nitriles also inserted into a Ru-C bond of 2 and afforded a series of dicationic 2-azaruthenacyclohexadienyl complexes, [(Cp*Ru)(2){Cp*RU(mu(3)-eta(2):eta(2)-NH=CR-CHCMeCH-)}(mu(3)-CH)](2+) (18a: R = Me, 18b: R = Et, 18c: R = Ph).

  DOI：

  10.1021/om701066b