pentamethylcyclopentadienylRu(PPhMe2)2Cl | 114674-45-2

• 英文名称: pentamethylcyclopentadienylRu(PPhMe2)2Cl
• 英文别名: chlorobis(dimethylphenylphosphine)(η5-pentamethylcyclopentadienyl)ruthenium；Cp(*)Ru(Cl)(PPhMe2)2；pentamethylcyclopentadienylRu(PPhMe₂)₂Cl；Cp*Ru(PPhMe₂)₂Cl；[RuCl(PMe2Ph)2(Cp*)]
• CAS: 114674-45-2
• 化学式: C₂₆H₃₇ClP₂Ru
• 分子量: 548.05
• InChiKey: HYKIZPSFRSWWKX-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：

  pentamethylcyclopentadienylRu(PPhMe2)2Cl 、 氯化新戊烷基镁 在 苯 作用下， 以 苯 为溶剂， 生成 (η5-C5Me5)Ru(Ph)(PPhMe2)2
  参考文献：
  名称：

  Spaltung aromatischer und vinylischer CH-Bindungen durch Cyclopentadienylruthenium(II)-Komplexe

  摘要：

  DOI：

  10.1016/s0022-328x(00)99061-2
• 作为产物：
  描述：

  五甲基环戊二烯基双(三苯基膦)氯化钌(II) 、 二甲基苯基磷 以 四氢呋喃 为溶剂， 生成 pentamethylcyclopentadienylRu(PPhMe2)2Cl
  参考文献：
  名称：

  Cp'Ru（PR3）2Cl配合物（Cp'=η5-C5H5，η5-C5Me5; PR3 = PMe3，PPhMe2，PPh2Me，PPh3，PEt3）中31P NMR配位化学位移，Ru-P键距和反应焓之间的相关性，PnBu3）

  摘要：

  The P-31 NMR spectra of CpRu(PR3)(2)Cl and Cp*Ru-(PR3)(2)Cl complexes with PR3 = PMe3, PPhMe2, PPh2Me, PPh3, PEt3, (PBu3)-Bu-n have been measured; these data correlate with and can be used to predict Ru-P bond distances and enthalpies. Their P-31 NMR coordination chemical shifts (Delta(ppm) = delta(complex) - delta(free)) show significant linear correlations with literature values of both the enthalpies of the ligand exchange reactions to form the Ru-P bonds and the average Ru-P bond distances from crystal structures. The strong correlation between Delta (ppm) and Ru-P distance can be extended to include the first-generation Grubbs metathesis catalyst (PCy3)(2)Cl2Ru=C(H)Ph and four of its derivatives, (PCy3)(2)Cl2Ru=C(H)(p-C6H4X) (X = OCH3, CH3, Cl, Br), the four related Fischer carbenes (PCy3)(2)Cl2Ru=C(H)ER (ER = OEt, SPh, N(carbazole), N(pyrrolidinone)), the second-generation Grubbs catalyst (PCy3)(IMes)Cl2Ru=C(H)Ph, and its derivative (PCy3)(IMes)Cl2Ru=C(H)OEt. Other significant correlations in the Cp'Ru(PR3)(2)Cl complexes are found between the enthalpies of reaction and Ru-P bond distances and between the cone angle and the Ru-P enthalpy, Ru-P bond distance, and Delta (ppm) values. The P-31 NMR shifts for six phosphines correlate nearly linearly with their crystallographic cone angles, allowing prediction of cone angles from P-31 NMR data.

  DOI：

  10.1021/acs.organomet.6b00444

文献信息

• Oxidative reactions of “half-sandwich” ruthenium compounds: formation of cationic nitrosyl ruthenium(II) derivatives
  作者：Pietro Diversi、Marco Fontani、Melania Fuligni、Franco Laschi、Simona Matteoni、Calogero Pinzino、Piero Zanello

  DOI：10.1016/s0022-328x(01)00680-5

  日期：2001.4

  The electrochemical behaviour of the ruthenium(II) alkyl complexes [Ru(Me)Cp*(L)2] (Cp*=η5-C5Me5; L=PMe32a, PMe2Ph 2b), [Ru(CH2CMe3)Cp*(PMe3)2] (3a), and the related [Ru(Me)Cp(PPh3)2] (4d) (Cp=η5-C5H5) in CH2Cl2 involves a one-electron process, yielding the corresponding ruthenium(III) paramagnetic cations, as shown by coupled electrochemical–EPR studies. Compounds 2–4 are oxidised by [FeCp2]+ in benzene

  钌的电化学行为（II）配合物的烷基的[Ru（Me）中的CP *（L）2 ]（CP * =η 5 -C 5我5 ; L = PME 3 2A，PME 2博士图2b），的[Ru（ CH 2 CME 3）的CP *（PME 3）2 ]（图3a），以及相关的[Ru（Me）中的CP（PPH 3）2 ]（图4d）的CP =η（5 -C 5 H ^ 5）在CH 2氯2个涉及单电子过程，产生相应的钌（III）顺磁性阳离子，如电化学-EPR耦合研究所示。化合物2 - 4由[FeCP氧化2 ] +中苯可以分解得到相应的烷烃身份不明的顺磁性产品。在CP *化合物与NOBF反应4得到的单阳离子alkylnitrosyl衍生物的[Ru（R）的CP *（NO）（L）] BF 4（R =甲基; L = PME 3 7a中，PME 2博士7b中。R = CH 2 CME 3 ; L = PMe 3），并且当NO +超过时，钌（II）的双金属配合物[RuCP
• Luo, Lubin; Nolan, Steven P.; Fagan, Paul J., Organometallics, 1993, vol. 12, # 11, p. 4305 - 4311
  作者：Luo, Lubin、Nolan, Steven P.、Fagan, Paul J.

  DOI：——

  日期：——
• Correlation between Structural and Solution Calorimetric Data for Cp*Ru(PR₃)₂Cl (Cp* = C₅Me₅) Complexes
  作者：Dale C. Smith、Christopher M. Haar、Lubin Luo、Chunbang Li、Michèle E. Cucullu、Charles H. Mahler、Steven P. Nolan、William J. Marshall、Nancy L. Jones、Paul J. Fagan

  DOI：10.1021/om990090k

  日期：1999.6.1

  Single-crystal X-ray diffraction studies were conducted bn the following compounds: Cp*Ru(PMe3)(2)Cl (1), Cp*Ru(PPhMe2)(2)Cl (2), Cp*Ru(PMePh2)(2)Cl (3), Cp*Ru(PPh3)(2)Cl (4), Cp*Ru(PEt3)(2)Cl (5), Cp*Ru(AsEt3)(2)Cl (6), Cp*Ru((PBu3)-Bu-n)(2)Cl (7), and Cp*Ru(dmpm)Cl (8). Structural information obtained from these X-ray studies can be correlated with enthalpies of ligand substitution previously determined from solution calorimetry. The cone angle of the phosphine ligand (monodentate) and the Ru-P bond distance were found to be proportional to the enthalpy of reaction.
• Lehmkuhl, Herbert; Bellenbaum, Marita; Grundke, Juergen, Chemische Berichte, 1988, vol. 121, p. 1719 - 1728
  作者：Lehmkuhl, Herbert、Bellenbaum, Marita、Grundke, Juergen、Mauermann, Heiko、Krueger, Carl

  DOI：——

  日期：——
• Highly polarized ruthenium alkynyls with nitrothienyl substituents
  作者：Aibing Xia、John P. Selegue

  DOI：10.1016/s0020-1693(02)00763-6

  日期：2002.5

  Me(3)SiCdropCC(4)H(2)S-5-NO2 was synthesized in good yield by palladium-catalyzed cross-coupling of ethynyltrimethylsilane and 2-bromo-5-nitrothiophene or 2-iodo-5-nitrothiophene. Reactions of Me(3)SiCdropC(C4H2S)NO2 with a series of ruthenium chloride complexes [RuClLL'(Cp')] gave the alkynyls [Ru(2-CdropCC(4)H(2)S-5-NO2)LL'(Cp')] (L, L' = CO, PMe2Ph or PPh3; Cp' = C5H5 or C5Me5). These metal complexes, each with a strongly electron-donating metal center at one end and an electron-accepting organic substituent at the other end of a pi-conjugated chain, are strongly polarized and are expected to demonstrate non-linear optical activity. (C) 2002 Elsevier Science B.V. All rights reserved.