(p-cymene)Ru(μ-Cl)₃RuCl(C₂H₄)(PCy₃) | 850167-17-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (p-cymene)Ru(μ-Cl)₃RuCl(C₂H₄)(PCy₃)
• 英文别名: [(p-cymene)Ru(μ-Cl)3RuCl(η2-C2H4)(PCy3)]；[(p-cymene)Ru(μ-Cl)3RuCl(η2-C2H4)(tricyclohexylphosphine)]；[(p-cymene)Ru(μ-Cl)3RuCl(ethylene)(tricyclohexylphosphine)]；[(cymene)Ru(μ-Cl)3RuCl(ethylene)(PCy3)]；(p-cymene)Ru(μ-Cl)3RuCl(PCy3)(C2H4)
• CAS: 850167-17-8
• 化学式: C₃₀H₅₁Cl₄PRu₂
• 分子量: 786.661
• InChiKey: KWDHGQQYDJEZSX-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  12.52
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (p-cymene)Ru(μ-Cl)₃RuCl(C₂H₄)(PCy₃) 、 3,5-双三氟甲基苯乙炔 以 二氯甲烷 为溶剂， 以83%的产率得到[(p-cymene)Ru(μ-Cl)3RuCl(=C=CH-C6H4-3,5-(CF3)2)(tricyclohexylphosphine)]
  参考文献：
  名称：

  带有亚乙烯基配体的同双金属钌-芳烃络合物的合成，表征及催化在烯烃复分解中的应用

  摘要：

  与取代基测距五个新arylvinylidene络合物从供电子强烈撤回（p -OMe，p -Me，p -Cl，p -CF 3，和米- （CF 3）2）以高收率通过使分离[（p -cymene）的Ru（μ-Cl）的3的RuCl（η 2 -C 2 H ^ 4）（PCY 3）]（3）与相应的苯乙炔衍生物。已知的苯基亚乙烯基配合物[（对-cymene）Ru（μ-Cl）3 RuCl（═C═CHPh）（PCy 3）]（5）也是在微波辐射下从[RuCl 2（p- cymene）] 2，三环己基膦和苯乙炔获得的。通过IR，NMR和XRD光谱学研究了远端芳基取代基对结构特征的影响。在亚乙烯基α-碳原子的化学位移与芳基取代基的Hammettσ-常数之间观察到非常好的线性关系。在各种类型的烯烃复分解反应中探讨了六种同双金属配合物的催化活性。未取代的苯基亚乙烯基化合物5用作这些实验的前导结构。它与降冰片烯的反应提供

  DOI：

  10.1021/om1006177
• 作为产物：
  描述：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 乙烯 、 三环己基膦 以 甲苯 为溶剂， 生成 (p-cymene)Ru(μ-Cl)₃RuCl(C₂H₄)(PCy₃)
  参考文献：
  名称：

  Multifaceted Chemistry of [(Cymene)RuCl₂]₂ and PCy₃

  摘要：

  The reaction of [(cymene)RuCl2](2) (1) with PCY3 was investigated using different stoichiometries and reaction conditions. Whereas a mixture of complex 1 and 2 equiv of PCy3 in methanol gave the known adduct [(cymene)Rucl(2)(PCy3)] (3) along with the phosphonium salt [PCy3(CH2OH)]Cl (4). prolonged heating of 1 and 4 equiv of PCy3 in methanol under argon resulted in the formation of complex [RuHCl(CO)(PCy3)(2)] (5). Dinuclear, chloro-bridged complexes were generated when 1 was reacted with only 1 equiv of PCy3]. In a mixture of THF and allyl alcohol. the carbonyl complex [(cymenc) Ru-(mu-cl)(3)Rucl(CO)(PCy3)](6) was formed. In dioxane, however, intramolecular C-H activation of the PCy3 ligand was observed. resulting in the formation of [(Cymene)R mu-Cl)(3)RuCl{PCy2(C6H9)}] (7). When the reaction was performed under an atmosphere of H-2,H- the dihydrogen complex [(cymene)Ru-(mu-Cl)(3)RuCl(H-2)(PCy3)] (8) could be isolated. An inert trinuclear cluster of the formula [RuCl2(PCy3)](3) (10) was formed when 1 was heated with 2 equiv of PCy3 in THF. Complexes 3, 6, 7, 8, and 10 as well as the phosphorium salt 4 were characterized by single-crystal X-ray analysis.

  DOI：

  10.1021/om900374e
• 作为试剂：
  描述：

  1-(2',2',2'-trichloromethylcarbonylamino)cyclohex-2-ene 在 (p-cymene)Ru(μ-Cl)₃RuCl(C₂H₄)(PCy₃) 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 (1S*,5S*,6S*)-5,7,7-trichloro-8-oxo-9-azabicyclo[4.3.0]nonane
  参考文献：
  名称：

  与均双金属钌-芳烃配合物的闭环复分解/原子转移自由基反应的串联催化。

  摘要：

  用均双金属钌-茚基络合物[(p-cymene)Ru(mu-Cl)(3)RuCl(3-phenyl-1-indenylidene)(PCy( 3))] (1) 原位生成活性物种。这两个催化过程首先在案例研究中独立进行，然后优化整个序列并应用于从带有三卤代乙酰胺或三氯乙酸酯官能团的 α,omega-二烯底物合成几种多卤化双环 γ-内酰胺和内酯。通过 (1)H 和 (3)(1)P NMR 光谱仔细监测各个步骤，以了解催化循环的详细细节。

  DOI：

  10.3762/bjoc.6.133

文献信息

• Activation of Nitrous Oxide by Dinuclear Ruthenium Complexes
  作者：Alexander G. Tskhovrebov、Euro Solari、Rosario Scopelliti、Kay Severin

  DOI：10.1021/om300786f

  日期：2012.10.22

  chelating alkoxy ligand. Dinitrogen complexes were identified as intermediates in all reactions. At elevated temperature, the carbene complex (p-cymene)Ru(μ-Cl)3RuCl(C2H4)(IMes) is able to catalyze the oxidation of alcohols with N2O.

  双核Ru（II）络合物（arene）Ru（μ-Cl）3 RuCl（C 2 H 4）（PCy 3）（亚芳基=对苯甲基或1,3,5-C 6 H 3 i Pr 3）反应在温和条件下用N 2 O生成OPCy 3和三核配合物（芳烃）Ru（μ-Cl）3 Ru（μ-Cl）3 Ru（芳烃）。另一方面，N-杂环卡宾络合物（p- Cymene）Ru（μ-Cl）3 RuCl（C 2 H 4）（IMes）（IMes = 1,3-dimesitylimidazol-2-ylidene）与N反应2个O给出具有螯合烷氧基配体的混合价Ru（II）/ Ru（III）配合物。二氮配合物被确定为所有反应的中间体。在高温下，卡宾络合物（对-cymene）Ru（μ-Cl）3 RuCl（C 2 H 4）（IMes）能够催化醇被N 2 O氧化。
• Formation of a Ruthenium μ‐Carbide Complex with Acetylene as the Carbon Source
  作者：Euro Solari、Sasa Antonijevic、Sébastien Gauthier、Rosario Scopelliti、Kay Severin

  DOI：10.1002/ejic.200600991

  日期：2007.1

  C=CHR)(PCy3)] (R = tBu, Ph), which were characterized crystallographically. With acetylene, however, a tetranuclear -carbide complex was obtained as evidenced by single-crystal X-ray analysis as well as by solid-state NMR spectroscopy. Experiments with fully 13C-labelled acetylene showed that acetylene was the carbon source for the carbide ligand.

  双核钌配合物 [(p-cymene)Ru(mu-Cl)3RuCl(C2H4)(PCy3)] 与苯乙炔或叔丁基乙炔反应得到亚乙烯基配合物 [(p-cymene)Ru(mu-Cl)3RuCl( =C=CHR)(PCy3)] (R = tBu, Ph)，其在晶体学上被表征。然而，通过单晶 X 射线分析和固态 NMR 光谱证明，使用乙炔可以获得四核碳化物配合物。用完全 13C 标记的乙炔进行的实验表明，乙炔是碳化物配体的碳源。
• Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions
  作者：Joffrey Wolf、Katrin Thommes、Oliver Briel、Rosario Scopelliti、Kay Severin

  DOI：10.1021/om8004096

  日期：2008.9.1

  The complexes [(p-cymene)Ru(mu-Cl)(3)RuCl(C2H4)(PR3)] (PR3 = PPh3, Pn-Bu-3) were synthesized by reaction of [(p-cymene)RuCl(mu-Cl)](2) with the respective phosphine ligand in the presence of ethylene. Structurally related complexes containing the tricyclopentylphosphine (PCyp(3)) or the isobutylphobane ligand (phobane = 9-phosphabicyclo[3.3.1]nonane) were obtained by reaction of [(arene)RuCl(mu-Cl)](2) (arene = p-cymene, 1,3,5-i-Pr3C6H3) with 2 equiv of [(arene)RuCl2(PCyp(3))] or [(arene)RuCl2(isobutylphobane)] in the presence of ethylene. The structures of the dinuclear complexes [(p-cymene)Ru(mu-Cl)(3)RuCl-(C2H4)(PPh3)] and [(1,3,5-i-Pr3C6H3)Ru(mu-Cl)(3)RuCl(C2H4)(isobutylpliobane)] as well as of the mononuclear precursors [(p-cymene)RuCl2(isobutylphobane)], [(1,3,5-i-Pr3C6H3)RuCl2(isobutylphobane)], and [(p-cymene)RuCl2(PCyp(3))] were determined by single-crystal X-ray analyses. Kinetic analyses of the atom transfer radical addition reaction of CCl4 to styrene revealed that the catalytic activity of the dinuclear complexes was strongly dependent on the nature of the phosphine ligand but only slightly affected by the nature of the arene ligand. Addition of Mg to the reaction mixture was found to increase the lifetime of the catalyst significantly. With Mg as the cocatalyst, mixed-valence Ru(II)-Ru(III) complexes of the general formula [(arene)Ru(mu-Cl)(3)RuCl2(PR3)] were found to be equally potent catalyst precursors when compared to the Ru(II)-Ru(II) complexes [(arene)Ru(mu-Cl)(3)RuCl(C2H4)(PR3)].
• Multifaceted Chemistry of [(Cymene)RuCl₂]₂ and PCy₃
  作者：Euro Solari、Sébastien Gauthier、Rosario Scopelliti、Kay Severin

  DOI：10.1021/om900374e

  日期：2009.8.10

  The reaction of [(cymene)RuCl2](2) (1) with PCY3 was investigated using different stoichiometries and reaction conditions. Whereas a mixture of complex 1 and 2 equiv of PCy3 in methanol gave the known adduct [(cymene)Rucl(2)(PCy3)] (3) along with the phosphonium salt [PCy3(CH2OH)]Cl (4). prolonged heating of 1 and 4 equiv of PCy3 in methanol under argon resulted in the formation of complex [RuHCl(CO)(PCy3)(2)] (5). Dinuclear, chloro-bridged complexes were generated when 1 was reacted with only 1 equiv of PCy3]. In a mixture of THF and allyl alcohol. the carbonyl complex [(cymenc) Ru-(mu-cl)(3)Rucl(CO)(PCy3)](6) was formed. In dioxane, however, intramolecular C-H activation of the PCy3 ligand was observed. resulting in the formation of [(Cymene)R mu-Cl)(3)RuClPCy2(C6H9)}] (7). When the reaction was performed under an atmosphere of H-2,H- the dihydrogen complex [(cymene)Ru-(mu-Cl)(3)RuCl(H-2)(PCy3)] (8) could be isolated. An inert trinuclear cluster of the formula [RuCl2(PCy3)](3) (10) was formed when 1 was heated with 2 equiv of PCy3 in THF. Complexes 3, 6, 7, 8, and 10 as well as the phosphorium salt 4 were characterized by single-crystal X-ray analysis.
• Homobimetallic Ruthenium−Arene Complexes Bearing Vinylidene Ligands: Synthesis, Characterization, and Catalytic Application in Olefin Metathesis
  作者：Yannick Borguet、Xavier Sauvage、Guillermo Zaragoza、Albert Demonceau、Lionel Delaude

  DOI：10.1021/om1006177

  日期：2010.12.27

  almost equimolar proportion of cis and trans double bonds. No major changes were observed in the polymer yields and microstructures when complexes bearing donor groups on their aryl rings were employed as catalyst precursors. On the other hand, compounds bearing strongly electron-withdrawing substituents were significantly less active. Model vinylidene compound 5 and its ruthenium−ethylene parent (3)

  与取代基测距五个新arylvinylidene络合物从供电子强烈撤回（p -OMe，p -Me，p -Cl，p -CF 3，和米- （CF 3）2）以高收率通过使分离[（p -cymene）的Ru（μ-Cl）的3的RuCl（η 2 -C 2 H ^ 4）（PCY 3）]（3）与相应的苯乙炔衍生物。已知的苯基亚乙烯基配合物[（对-cymene）Ru（μ-Cl）3 RuCl（═C═CHPh）（PCy 3）]（5）也是在微波辐射下从[RuCl 2（p- cymene）] 2，三环己基膦和苯乙炔获得的。通过IR，NMR和XRD光谱学研究了远端芳基取代基对结构特征的影响。在亚乙烯基α-碳原子的化学位移与芳基取代基的Hammettσ-常数之间观察到非常好的线性关系。在各种类型的烯烃复分解反应中探讨了六种同双金属配合物的催化活性。未取代的苯基亚乙烯基化合物5用作这些实验的前导结构。它与降冰片烯的反应提供