chloro(pentamethylcyclopentadienyl)ruthenium(II) | 121334-82-5

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: chloro(pentamethylcyclopentadienyl)ruthenium(II)
• 英文别名: [Ru(mu.-Cl)(pentamethylcyclopentadienyl)](n)
• CAS: 121334-82-5
• 化学式: C₁₀H₁₅ClRu
• 分子量: 271.752
• InChiKey: JLXLOMMCQWMOIX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  chloro(pentamethylcyclopentadienyl)ruthenium(II) 在 吡啶 作用下， 以 四氢呋喃 为溶剂， 以50-60的产率得到(η5-C5Me5)Ru(η6-pyridine)(PF6)
  参考文献：
  名称：

  Facile preparation of π-arene complexes of ruthenium [(η⁵-C₅Me₅)Ru(arene)]X including a π-pyridine and the first π-furan derivatives

  摘要：

  在四氢呋喃或丙酮中将(Cp*RuCl2)n（Cp*=η5-C5Me5）进行锌还原，可以得到“(Cp*RuCl)n”，该化合物与烯烃在有或没有KPF6的条件下平稳反应，即使在-50°C时，也能形成π-复合物[Cp*Ru(arene)]X（arene = 苯、3-甲基噻吩、吡啶、2,6-二甲基吡啶、3,5-二甲基吡啶或呋喃），其中包括在溶液中首个被探测到的π-呋喃复合物和一个稀有的π-吡啶复合物；后者被提议作为吡啶在氢脱氮反应中的协调模型，然而，吡啶协调的方式高度依赖于溶剂的极性。

  DOI：

  10.1039/c39880000711
• 作为产物：
  描述：

  二氯(五甲基环戊二烯基)合钌(III)聚合物 、 锌 以 四氢呋喃 为溶剂， 生成 chloro(pentamethylcyclopentadienyl)ruthenium(II)
  参考文献：
  名称：

  Facile preparation of π-arene complexes of ruthenium [(η⁵-C₅Me₅)Ru(arene)]X including a π-pyridine and the first π-furan derivatives

  摘要：

  在四氢呋喃或丙酮中将(Cp*RuCl2)n（Cp*=η5-C5Me5）进行锌还原，可以得到“(Cp*RuCl)n”，该化合物与烯烃在有或没有KPF6的条件下平稳反应，即使在-50°C时，也能形成π-复合物[Cp*Ru(arene)]X（arene = 苯、3-甲基噻吩、吡啶、2,6-二甲基吡啶、3,5-二甲基吡啶或呋喃），其中包括在溶液中首个被探测到的π-呋喃复合物和一个稀有的π-吡啶复合物；后者被提议作为吡啶在氢脱氮反应中的协调模型，然而，吡啶协调的方式高度依赖于溶剂的极性。

  DOI：

  10.1039/c39880000711
• 作为试剂：
  描述：

  D(-)-对羟基苯甘氨酸 在 copper(l) iodide 、 四(三苯基膦)钯 、 lithium hydroxide monohydrate 、 chloro(pentamethylcyclopentadienyl)ruthenium(II) 、 四丁基氟化铵 、 碘 、 silver trifluoroacetate 、 sodium carbonate 、 potassium carbonate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 氯仿 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 45.0h， 生成
  参考文献：
  名称：

  Synthesis of bicyclic tripeptides inspired by the ABC-ring system of vancomycin through ruthenium-based cyclization chemistries

  摘要：

  The synthesis of a bicyclic tripeptide that mimics the ABC ring system of vancomycin is described by using a ring closing metathesis (RCM ) - peptide coupling - ruthenium-catalyzed azide-alkyne cycloaddition (RuAAC) strategy. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2017.10.046

文献信息

• Unexpected dehydrogenation of a cyclohexyl group at low temperature through protonation of RuH₃(η⁵-C₅Me₅)(PCy₃)(Cy = cyclohexyl). X-Ray structure of [(η⁵-C₅Me₅)Ru{(C₆H₉)P(C₆H₁₁)}₂]BF₄
  作者：Thérèse Arliguie、Bruno Chaudret、Felix Jalon、Fernando Lahoz

  DOI：10.1039/c39880000998

  日期：——

  Low temperature protonation of RuH3(η5-C5Me5)(PR3)(R = Pri, Ph, cyclohexyl) leads either to decomposition (R = Pri), to a mixture of cis- and trans-[RuH2(η5-C5Me5)(PR3)2]BF4(R = Ph), or to dehydrogenation of a cyclohexyl group to afford the complex [Ru(η5-C5Me5)(C6H9)P(C6H11)2}]BF4 which shows a strong agostic interaction between a C–H bond of the cyclohexenyl group and the metal; a possible application of the later observation is proposed for the dehydrogenation of alkanes.

  低温质子化RuH3(η5-C5Me5)(PR3)(R = Pri, Ph, 环己基)导致两种结果：一种是分解（R = Pri），另一种是产生顺-和反- [RuH2(η5-C5Me5)(PR3)2]BF4的混合物（R = Ph），或者导致环己基的脱氢，形成配合物[Ru(η5-C5Me5)(C6H9)P(C6H11)2}]BF4，该配合物显示出环己烯基中C–H键与金属之间的强相互作用；对后者观察结果的一个可能应用是用于烷烃的脱氢。
• Synthesis and X-ray crystal structure of [(C5Me5)Ru(P2N2)]2[ZnCl4] · 2H2O
  作者：Wai-Kwok Wong、Yang Chen、Wing-Tak Wong

  DOI：10.1016/0277-5387(95)00465-3

  日期：1996.5

  Abstract The interaction of [(C 5 Me 5 )Ru(CH 3 CN) 3 ] + (generated in situ from the reaction of [(C 5 Me 5 )RuCl 2 ] n with excess granular zinc in CH 3 CN) with one equivalent of N , N ′-bis[ o -(diphenylphosphino)benzylidene]ethylenediamine ( P 2 N 2 ) in CH 3 CN at room temperature gave [(C 5 Me 5 )Ru(P 2 N 2 )] 2 [ZnCl 4 ] · 2H 2 O in good yield (80%). The compound has been fully characterized

  摘要[（C 5 Me 5）Ru（CH 3 CN）3] +（由[（C 5 Me 5 RuRu 2 2）n与过量的粒状锌在CH 3 CN中的反应原位产生）相互作用室温下在CH 3 CN中当量的N，N'-双[o-（二苯基膦基）亚苄基]乙二胺（P 2 N 2）得到[（C 5 Me 5）Ru（P 2 N 2）] 2 [ZnCl 4 ]·2H 2 O，收率良好（80％）。该化合物已通过分析，光谱和X射线衍射方法进行了充分表征。
• Binuclear metal complexes of a doubly bridged cyclopentadienyl ligand
  作者：Ulrich Siemeling、Peter Jutzi、Beate Neumann、Hans Georg Stammler、Michael B. Hursthouse

  DOI：10.1021/om00039a043

  日期：1992.3

  Binuclear metal complexes derived from the doubly bridged cyclopentadiene system 2,2,8,8-tetramethyl-2,8-disilatricyclo[7.3.0.0(3,7)]dodeca-3,5,9,11-tetraene (LH2) are examined. This compound is deprotonated with 2 equiv of 1-butyllithium to form the dilithio salt LLi2 (2). Reaction of 2 with trimethyltin chloride yields (Me3Sn)2L (3). The analogous reaction with Cp*RuCl (Cp* = C5Me5) gives the binuclear ruthenocene (Cp*Ru)2L (4). By cocomplexation of 2 and Cp*Li with iron(II) chloride, the binuclear ferrocene (Cp*Fe)2L (5) is obtained. Reaction of LH2 with octacarbonyldicobalt leads to the formation of [(CO)2Co]2L (6). The analogous reaction with pentacarbonyliron yields a mixture of products, from which [(CO)2Fe]2L (Fe-Fe) (7) is isolated. The stereochemistry of complexes 3-7 is investigated by IR and NMR spectroscopy. Single-crystal X-ray structure determinations are performed for 5 and 6. The structure investigations on 5 show a trans arrangement of the two Cp*Fe units. The ligand L is not planar. The unit cell contains two independent molecules, whose bonding parameters are essentially identical (crystal system triclinic; space group P1BAR; a = 8.7443 (13), angstrom, b = 18.561 (3) angstrom, c = 20.576 (4) angstrom; alpha = 89.340 (13)-degrees, beta = 89.160 (13)-degrees, gamma = 78.300 (12)-degrees; Z = 4). The structure investigations on the cis isomer of 6 also show a nonplanar ligand L (crystal system monoclinic; space group P2(1)/n; a = 10.496 (2) angstrom, b = 13.380 (2) angstrom, c = 14.537 (6) angstrom; beta = 92.96 (3)-degrees; Z = 4). The flexibility of L is estimated, and the potential of its binuclear complexes for catalytic processes is discussed.
• π-H3C5(Me2Si) (Me2SiSiMe2)-π-C5H3: Ein neuartiger, zweifach verbrückter Dicyclopentadienyl-Ligand: Synthese und beispielhafter Einsatz in der Komplexchemie
  作者：Peter Jutzi、Ingrid Mieling、Beate Neumann、Hans-Georg Stammler

  DOI：10.1016/s0022-328x(97)00011-9

  日期：1997.8

  Deprotonation of dicyclopentadienyldimethylsilane with two equivalents of n-butyllithium and subsequent reaction with 1,2-dichlorotetramethyldisilane yields the double-bridged dicyclopentadiene H4C5(SiMe2)(Si2Me4)C5H4 (1 = H2L). Reaction of 1 with two equivalents of n-butyllithium leads to the dilithio compound Li-2 [H3C5(SiMe2)(Si2Me4)C5H3] (2 = Li2L) with the bridging dimethylsilyl and tetramethyldisilanyl group in 1,2 position (ortho-position) at each cyclopentadienyl unit 2 is used as starting material for the exemplary synthesis of the following metal complexes: Cp '' Cl2ZrLZrCl2Cp '' (3; Cp '' = 1,3-(t-Bu)(2)C5H3), Cp '' Cl2ZrLH (4); Me5C5RuLRuC5Me5 (syn: 5a; anti: 5b); syn-(CO)(2)CoLCo(CO)(2) (6). All compounds are characterized by spectroscopic and analytical data. X-ray crystal structures are presented for 1 and for 3. Stereochemical effects in metal complexes with the new unsymmetrically bridged dicyclopentadienyl ligand L are discussed.
• Mixed Valence Properties in Ferrocenyl-Based Bimetallic FeCp−Indenyl−ML_<i>n</i> Complexes: Effect of the ML_<i>n</i> Group
  作者：Saverio Santi、Christian Durante、Alessandro Donoli、Annalisa Bisello、Laura Orian、Alberto Ceccon、Laura Crociani、Franco Benetollo

  DOI：10.1021/om800954b

  日期：2009.6.22

  A series of ferrocenyl-based complexes of general structure [eta(5)-(2-ferrocenyl)indenyI]MLn [MLn = RuCp*, FeCp, IrCOD, Mn(CO)(3), and Cr(CO)(2)NO] were synthesized with the aim of tuning the effect of the nature of the second metal group MLn on the magnitude of the metal-metal electronic coupling in their mixed valence ions generated by electrochemical oxidation. The electronic interaction was probed by determining different and independent physical properties, the potential splitting in the cyclic voltammograms, and the IT bands in the near-IR spectra, which were rationalized in the framework of Marcus-Hush theory and at the quantum chemistry level by the density functional theory and TD density functional theory methods. On the basis of the obtained results, we were able to establish a trend based on the magnitude of the Fe-M electron transfer parameters H-ab and alpha ranging from weakly to moderately coupled mixed valence ions.