CpRu[P(p-CH₃OC₆H₄)₃]₂Cl | 103652-84-2

• 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(p-CH₃OC₆H₄)₃]₂Cl
• 英文别名: CpRu(P(p-MeOC6H4)3)2Cl；(η(5)-C5H5)RuCl(P(p-CH3OC6H4)3)2；RuCp(p-methoxytriphenylphoshine)2Cl；Ru[P(p-C6H4OCH3)3]2CpCl；chlororuthenium(1+);cyclopenta-1,3-diene;tris(4-methoxyphenyl)phosphane
• CAS: 103652-84-2
• 化学式: C₄₇H₄₇ClO₆P₂Ru
• 分子量: 906.357
• InChiKey: ZJOVRLVYBOHFIC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  sodium cyanide 、 CpRu[P(p-CH₃OC₆H₄)₃]₂Cl 以 甲醇 为溶剂， 以80%的产率得到CpRu(P(p-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：

  (cyclooctadienyl)(cyclopentadienyl)ruthenium chloride 、 三(4-甲氧苯基)膦 以 四氢呋喃 为溶剂， 生成 CpRu[P(p-CH₃OC₆H₄)₃]₂Cl
  参考文献：
  名称：

  Enthalpies of Reaction of Cp'Ru(COD)Cl (Cp' = C5H5, C5Me5; COD = Cyclooctadiene) with P(p-XC6H4)3 (X = Cl, F, H, CH3, CF3, OCH3) Ligands: Ligand Steric vs Electronic Contributions to the Enthalpy of Reaction

  摘要：

  The enthalpies of reaction of Cp'Ru(COD)Cl (1; Cp' = eta(5)-C5H5, eta(5)-C(5)Me(5); COD cyclooctadiene) with a series of para-substituted monodentate tertiary phosphine ligands, leading to the formation of Cp'Ru(PR(3))(2)Cl, have been measured by anaerobic solution calorimetry in THF at 30.0 degrees C. These reactions are rapid and quantitative. Structural studies have been carried out on three complexes in this series. The relative importance of phosphine steric vs electronic ligand parameters is more closely examined in terms of the presented quantitative thermochemical and structural information. Comparisons with enthalpy data in this and related organometallic systems are also presented.

  DOI：

  10.1021/om00011a053
• 作为试剂：
  描述：

  (2S,3R,5S,6R)-5-benzyloxy-6-benzyloxymethyl-2-prop-2-ynyl-3-acetoxytetrahydropyran 在 tert-butylammonium hexafluorophosphate(V) 、 碳酸氢钠 N-羟基丁二酰亚胺 、 CpRu[P(p-CH₃OC₆H₄)₃]₂Cl 、 三(4-甲氧苯基)膦 、 potassium carbonate 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 (4aS,6R,7S,8aR)-7-Benzyloxy-6-benzyloxymethyl-hexahydro-pyrano[3,2-b]pyran-2-one
  参考文献：
  名称：

  A Flexible Approach toward trans-Fused Polycyclic Tetrahydropyrans. A Synthesis of Prymnesin and Yessotoxin Units

  摘要：

  Ru-catalyzed cycloisomerization and oxidative cyclization of bis-homopropargylic alcohols provide a rapid iterative approach to structural units of the ladder toxins.

  DOI：

  10.1021/ol048165q

文献信息

• Phosphine substitution reactions of (η⁵-cyclopentadienyl)ruthenium bis(triarylphosphine) chloride, CpRu(PAr₃)₂Cl {PAr₃ = PPh₃, P(p-CH₃C₆H₄)₃, P(p-FC₆H₄)₃, P(p-CH₃OC₆H₄)₃, and PPh₂(p-CH₃C₆H₄)}: a tale of two mechanisms
  作者：Michael J. Verschoor-Kirss、Olivia Hendricks、Lawrence Renna、David Hill、Rein U. Kirss

  DOI：10.1039/c4dt02240h

  日期：——

  The kinetics of phosphine substitution in CpRu(PAr3)2Cl by PMePh2 under pseudo-first order conditions in CDCl3 have been measured for PAr3 = PPh3, 1a, PPh2(p-tol), 1b, P(p-tol)3, 1c, P(p-CH3OC6H4)3, 1d, and P(p-FC6H4)3), 1e. Activation parameters characteristic of a dissociative pathway (ΔH† = 110–124 ± 2 kJ mol−1, ΔS† = 16–44 ± 5–12 J mol−1 K−1) are observed for all five compounds. The rate of substitution

  膦取代在CPRU（PAR动力学3）2氯通过PMePh 2拟一级条件下在CDCl 3已经测量为PAR 3 = PPH 3，1A，PPH 2（p -tol），1B，P（p -tol）3，1C，p（p -CH 3 OC 6 H ^ 4）3，1D和p（p -FC 6 H ^ 4）3），1E。对于所有五个化合物，均观察到了解离途径的活化参数（ΔH † = 110–124±2 kJ mol -1，ΔS † = 16–44±5–12 J mol -1 K -1）。在CPRu（PAR 3）2 Cl（1a）和CPRu [P（p -FC 6 H 4）3 ] 2 Cl（1e）中的取代率与所添加的氯离子无关，并且在过量PAR 3的存在下会降低，但是，CPRu [P（p -CH 3 OC6 H 4） 3 ] 2 Cl（ 1d）在所添加的氯离子中是一阶的，对所添加的PAR 3的依赖性较小。涉及[CPRu（PAR 3）
• Ruthenium–Cyclopentadienyl Bipyridine–Biotin Based Compounds: Synthesis and Biological Effect
  作者：Leonor Côrte-Real、Brittany Karas、Ana Rita Brás、Adhan Pilon、Fernando Avecilla、Fernanda Marques、Ana Preto、Brian T. Buckley、Keith R. Cooper、Cathleen Doherty、M. Helena Garcia、Andreia Valente

  DOI：10.1021/acs.inorgchem.9b00735

  日期：2019.7.15

  (2). The structure of all compounds is fully supported by spectroscopic and analytical techniques and by X-ray diffraction studies for compounds 2, 3, and 5. All cationic compounds are cytotoxic in the two breast cancer cell lines tested, MCF7 and MDA-MB-231, and much better than cisplatin under the same experimental conditions. The cytotoxicity of the biotinylated compounds seems to be related with

  预期的抗癌金属药物应在设计中考虑目标特异性成分，以克服当前化学疗法的局限性。维生素在许多癌细胞系中都过表达，这种维生素被证明是一种有效的策略。因此，在本文中，我们报告了一组新化合物[Ru（η5-C5H5）（P（C6H4R）3）（4,4'-R'-2,2'-bpy）] +（ R = F和R'= H，3; R = F和R'=生物素，4; R = OCH3和R'= H，5; R = OCH3和R'=生物素，6）最近获得了带有三苯基膦配体的类似物的结果。还根据修改的文献程序[Ru（η5- ）（P（C6H4R）3）2Cl]描述了这些合成的前体，其中R为-F（1）或-OCH3（2）。光谱，分析技术以及化合物2、3和5的X射线衍射研究充分支持了所有化合物的结构。在所测试的两种乳腺癌细胞MCF7和MDA-MB-231中，所有阳离子化合物均具有细胞毒性。在相同的实验条件下，其效果要比顺铂好得多。生物素化