[(η(6)-C6Me6)Ru(μ-Cl)3Ru(η(6)-C6Me6)]PF6 | 95247-67-9

• 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: [(η(6)-C6Me6)Ru(μ-Cl)3Ru(η(6)-C6Me6)]PF6
• 英文别名: [(C6Me6Ru)2(μ-Cl)3]PF6；[Ru2Cl3(η6-C6Me6)2]PF6；chlororuthenium(1+);dichlororuthenium;1,2,3,4,5,6-hexamethylbenzene;hexafluorophosphate
• CAS: 95247-67-9
• 化学式: C₂₄H₃₆Cl₃Ru₂*F₆P
• 分子量: 778.013
• InChiKey: JPOBCNLNWGAUTN-UHFFFAOYSA-K

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

• 作为产物：
  描述：

  acetonitrile;chlororuthenium(1+);ethenyl(diphenyl)phosphane;1,2,3,4,5,6-hexamethylbenzene;hexafluorophosphate 在 (C₆H₅)2C(OH)CCH 作用下， 以 二氯甲烷 为溶剂， 生成 [(η(6)-C6Me6)Ru(μ-Cl)3Ru(η(6)-C6Me6)]PF6
  参考文献：
  名称：

  Novel Ruthenium(II) Carbene Complexes:  Products of the Reactions of 1-Alkynes with (η⁶-C₆Me₆)Cl₂Ru(PR₃)

  摘要：

  The complexes (eta6-C6Me6)Cl2RU(PR3) (1; PR3 = DPVP (diphenylvinylphosphine) (a), PMe3 (b), PPh3 (c)) react with NaPF6 in acetonitrile solutions to give the cationic complexes [(eta (6)-C6Me6)ClRu(PR3)(NCCH3)]PF6 (2a-c) by loss of NaCl, Complexes la and 2a react with HC=CSiMe3 and HC=CPh land NaPF6 for 1a) in MeOH to give the carbene complexes [(eta (6)-C6Me6)Cl(DPVP)Ru=C (OCH3)CH3]PF6 (3a) and [(eta (6)-C6Me6) Cl(DPVP)Ru=C(OCH3)CH2Ph]PF6 (4a), respectively. The known analogues 3b,c and 4b and the new complex 4c have been synthesized from 2b,c and HC drop CR. The solid-state structures of these complexes show a wide variation in the orientation of the carbene plane with respect to the plane of the eta (6)-arene ring (dihedral angles of 37,9-59,6 degrees) The solution dynamic behavior of 3a-c and 4a-c is discussed, Complex 2a also reacts with HC drop CCH2CH2OH in MeOH to give the oxacyclic carbene complex [(eta (6)-C6Me6)Cl(DPVP)Ru=C(CH2CH2CH2)O]PF6 (5). 1a (and NaPF6) and 2a react with HC=CC(OH)Ph-2 in MeOH to give the novel phosphorus ylide complex [(eta (6)-C6Me6)ClRuC(=C=CPh2)PPh2CH=CH2]PF6 (6) and with dimethylpropargylamine in CH2Cl2 or dichloroethane to give the amino cyclic carbene complex [(eta (6)- C6Me6)Cl(DPVP)Ru= CCH2- CMe2NH]PFG (7) and the metallacyclic complex [(r76-CsMes)C1RuCH=C(DPVP)CMe2NH21PFB (8). In the absence of MeOH, reaction of 2a with HC=CC(OH)Ph-2 gives the dimeric complex [(eta (6)-C6Me6)Ru(mu -Cl)(3)Ru(eta (6)-C6Me6)]PF6. Complex 2a plus HC=CPh in the absence of MeOH gives the carbonyl complex [(eta (6)-C6Me6)Cl(DPVP)Ru(CO)]PF6 (9), Reaction of 2c with HC=CPh in MeOH for extended time periods (>1 day) gives an analogous carbonyl complex of PPh3, [(eta (6)-C6Me6)Cl(PPh3)Ru(CO)]PF6. All complexes have been characterized by H-1, C-13{1H}, and P-31{H-1} NMR and IR spectroscopies and electrochemistry and in most cases by X-ray crystallography. Complex la is an efficient catalyst for the regioselective addition of H2O to HC=CPh, producing exclusively acetophenone in 70% isolated yield.

  DOI：

  10.1021/om0004949

文献信息

• Aromaten(phosphan)metall-komplexe
  作者：H. Werner、H. Kletzin、Ch. Burschka

  DOI：10.1016/0022-328x(84)80637-3

  日期：1984.11

  C6Me6RuCl2(PR3) compounds (I, PR3 = PMe3; II, PR3 = PMePh2) react with AgPF6 in acetone via the intermediates [C6Me6RuCl(PR3)(ac)]PF6 (IV, V) to give the dinuclear complexes [(C6Me6RuPR3)2(μ-Cl)2](PF6)2 (VII, VIII). When [C6Me6RuCl(PPh3)(ac)]PF6 (VI) is treated with CH2Cl2, a mixture of products is formed containing the compounds [C6Me6Ru(η6-C6H5PPh2)](PF6)2 (X) and [(C6Me6Ru)2(μ-Cl)3]PF6 (XI). The X-ray

  C 6 Me 6 RuCl 2（PR 3）化合物（I，PR 3 = PMe 3； II，PR 3 = PMePh 2）通过中间体[C 6 Me 6 RuCl（PR 3）（ac）与丙酮中的AgPF 6反应。] PF 6（IV，V）得到双核配合物[（C 6 Me 6 RuPR 3）2（μ-Cl）2 ]（PF 6）2（VII，VIII）。当[C 6 Me 6 RuCl（PPh 3）（ac）] PF6（VI）与CH处理2氯2时，形成的产物的混合物含有这些化合物的[C 6我6的Ru（η 6 -C 6 H ^ 5 PPH 2）]（PF 6）2（X）和[（ C 6 Me 6 Ru）2（μ-Cl）3 ] PF 6（XI）。X的X射线结构分析显示钌原子到两个六元环的对称排列。中的磷原子上的η 6 -C 6 H ^ 5 PPH 2配体稍微偏向金属；但是，金属和两个芳香环系统之间的RuC键长（平均值223 PM）没有差异。
• Synthesis, characterization and crystal structure of [(η6-C6Me6)Ru(μ-Cl)3Ru(η6-C6Me6)]PF6
  作者：D.S Pandey、A.N Sahay、Om Singh Sisodia、N.K Jha、Pankaj Sharma、H.E Klaus、A Cabrera

  DOI：10.1016/s0022-328x(99)00563-x

  日期：1999.12

  Reaction of [Ru(eta(6)-C6Me6)Cl-2}(2)] with silver trifluoroacetate in presence of ammonium hexafluorophosphate and organonitriles viz. 4-cyanopyridine, 1,4-piperazine dicarbonitrile or 1,4-dicyanobenzene in methanol gives trichloro bridged complex [(eta(6)-C6Me6) Ru(mu-Cl)(3)Ru(eta(6)-C6Me6)]PF6. The complex has been characterized by various physico-chemical techniques (Elemental analyses, IR,UV-vis, H-1-, C-13-, P-31-NMR and FAB mass spectroscopy) and single crystal X-ray diffraction studies. [Crystal data: monoclinic, space group P2(1)c, a = 10.7604(9), b = 24.897(2), c = 10.8833(11) Angstrom, beta = 100.990(7)degrees. (C) 1999 Elsevier Science S.A. All rights reserved.
• Synthesis and Characterization of [(η⁶-arene)Ru(R₃P)Cl₂] Complexes
  作者：Kent D. Redwine、Heather D. Hansen、Sarah Bowley、Jamie Isbell、Michael Sanchez、David Vodak、John H. Nelson

  DOI：10.1080/00945710009351770

  日期：2000.3