CpRu(P(m-MeC6H4)3)2Cl | 204761-54-6

• 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: CpRu(P(m-MeC6H4)3)2Cl
• 英文别名: [(η5-C5H5)Ru(P(3-CH3-C6H4)3)2Cl]；[RuCl(η(5)-C5H5)(P(3-MeC6H4)3)2]；[(C5H5)(P(m-tol)3)2RuCl]；CpRuCl(P(m-tolyl)3)2；[ruthenium(II)Cl(η5-C5H5)(P(m-CH3C6H4)3)2]；RuCl(P(m-tol)3)2Cp；chlororuthenium(1+);cyclopenta-1,3-diene;tris(3-methylphenyl)phosphane
• CAS: 204761-54-6
• 化学式: C₄₇H₄₇ClP₂Ru
• 分子量: 810.361
• InChiKey: RTBRKNQVRITAAX-UHFFFAOYSA-M

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：

  sodium cyanide 、 CpRu(P(m-MeC6H4)3)2Cl 以 甲醇 为溶剂， 生成 CpRu(P(m-MeOC6H4)3)2(CN)
  参考文献：
  名称：

  Cyanide Ligand Basicities in Cp‘M(L)₂CN Complexes (M = Ru, Fe). Correlation between Heats of Protonation and νCN

  摘要：

  Basicities of the cyanide ligands in a series of Cp'M(L)(2)CN complexes were investigated by measuring their heats of protonation (-Delta N-CNH) by CF3SO3H in 1,2-dichloroethane solution at 25.0 degrees C to give Cp'M(L)(2)(CNH)+CF3SO3-, in which the N-H+ group is probably hydrogen-bonded o the CF3SO3- anion. Basicities (-Delta H-CNH) Of the CpRu(PR3)(2)CN complexes increase from 20.5 (PPh3) to 22.4 (PMe3) kcal/mol with increasing donor abilities of the phosphine ligands. Basicities of all the Cp'Ru(PR3)(2)CN complexes, where Cp' Cp or Cp*, are linearly correlated with their nu CN values; the nonphosphine complexes, CpRu(1,10-phen)CN and CpRu(COD)CN, do not follow the same correlation. For a large number of Cp'M(L)(2)CN complexes (M = Ru, Fe, L-2 = mono- and bidentate phosphines, CO, 1,10-phen, and COD), their nu CN values parallel nu CN values of their protonated Cp'M(L)(2)(CNH)(+) analogues. Also, P-31 NMR chemical shifts of the unprotonated Cp'M(PR3)(2)CN and protonated CpM(PR3)(2)(CNH)(+) complexes are linearly related. Despite the high basicity of Ru in Cp*Ru(PMe3)(2)Cl (30.2 kcal/mol), the CN-in Cp*Ru(PMe3)(2)CN (25.0 kcal/mol) is the site of protonation; factors that determine whether protonation occurs at the Ru or the CN- are discussed.

  DOI：

  10.1021/ic971124o
• 作为产物：
  描述：

  水合三氯化钌 、 环戊二烯 、 三(间甲苯基)膦 以 乙醇 为溶剂， 以55%的产率得到CpRu(P(m-MeC6H4)3)2Cl
  参考文献：
  名称：

  半三明治钌（II）配合物作为立体选择碳-碳-碳偶联反应的催化剂

  摘要：

  通式的环戊二烯基配合物[RUX（η 5 -配体）（PR 3）2 ]已经发现，催化重氮基乙酸乙酯（EDA）的立体选择性分解以形成95-99％纯度的马来酸二乙酯（DEM）具有小于1摩尔％的催化剂，在这取决于膦的膨松度和温度η 5 -配体以及该阴离子配位体X的性质详述之间的反应的研究将[RuCl（η 5 -C 5 H ^ 5）（ PPH 3）2 ]和EDA表明一个PPH的该离解3是催化过程的一个关键步骤，其经由中间将[RuCl前进（η 5-C 5 H 5）（CHCO 2 Et）（PPh 3）]。尽管在反应混合物中未检测到这种电卡宾，它独立地在溶液中制备在低温下从[Ru起始（η 2 -O 2 CME）（η 5 -C 5 H ^ 5）（PPH 3）。乙酸盐在-40°C下与EDA反应形成环状酯，该环酯经Me 2 SiCl 2处理后得到了在催化循环中假定的金属卡宾。与EDA后者化合物的化学计量反应得到选择性烯烃衍生物将[RuCl（η

  DOI：

  10.1021/om990582x

文献信息

• Dimerisation and reactivity of HCCCCFc at ruthenium centres
  作者：Michael I. Bruce、Martyn Jevric、Brian W. Skelton、Allan H. White

  DOI：10.1016/j.jorganchem.2010.09.035

  日期：2011.1

  In contrast to the simple diynyl complexes formed in reactions between HC CC CFc and MCl(dppe) Cp*; (M = Fe, Ru), an analogous reaction with RuCl(PPh(3))(2)Cp*: in the presence of KPF(6) and dbu resulted in dimerisation of the diyne at the Ru centre to afford a mixture of [Ru(eta(1),eta(2)-C(C CFc)=C(L)CH=CC=CHFc)(PPh(3))Cp*]PF(6) (L = dbu 1, PPh(3) 2). Similar reactions with RuCl(PR(3))(2)L gave [Rueta(1),eta(2)-C(C CFc)=C (dbu)CH=CC=CHFc}(PR(3))L]PF(6)(L = Cp, R = Ph 3, m-tol 4; L =.eta(5)-C(9)H(7), R = Ph 5). The reaction between 3 and 12, followed by crystallization of the paramagnetic product from MeOH, afforded the dicationic [RuC (C CFc)C(dbu)CH=C(OMe)C(OMe)=CHFc}(PPh(3))Cp](I(3))(2) 6. The molecular structures of 2 center dot 2CH(2)Cl(2) and 6.S (S = 2CH(2)Cl(2), C(6)H(6)) were determined by single-crystal XRD studies. (c) 2010 Elsevier B.V. All rights reserved.
• Trimetallic complexes containing 1,1′-Rc′(CC)2 units [Rc′=ruthenocene-1,1′-diyl, Ru(η-C5H4–)2]
  作者：Michael I. Bruce、Martyn Jevric、Gary J. Perkins、Brian W. Skelton、Allan H. White

  DOI：10.1016/j.jorganchem.2006.11.037

  日期：2007.3

  Reactions between 1,1'-(Me3SiC equivalent to C)(2)Rc' [Rc' = ruthenocen-1, 1'-diyl, Ru(eta-C5H4-)(2)] and RuCl(PP)Cp' in the presence of KF gave 1,1'-Cp(PP)RuC equivalent to C}(2)Rc' [Cp' = CP, PP = PPh3 1, P(m-tol)(3) 2, dppe 3, dppf 4; Cp' = Cp*, PP = dppe 5]. Compounds 1 and 2 react with tcne to give two diastereomers a/b of the allylic (vinylcarbene) complexes 6 and 7, while methylation of 5 gave the bis-vinylidene [1,1'-Cp*(dppe)Ru=C=CMe}2Rc'](BPh4)(2) (8). The X-ray structures of 4, 6b and 8 have been determined. Cyclic voltammograms indicate that there is some electronic communication between the ruthenium end-groups through the Rc' centre. (c) 2006 Elsevier B.V. All rights reserved.