pentamethylcyclopentadienylRu(PPh2Me)2Cl | 114674-44-1

• 英文名称: pentamethylcyclopentadienylRu(PPh2Me)2Cl
• 英文别名: chlorobis(methyldiphenylphosphine)(η5-pentamethylcyclopentadienyl)ruthenium；Cp(*)Ru(Cl)(PPh2Me)2；pentamethylcyclopentadienylRu(PPh₂Me)₂Cl；Cp*Ru(PPh₂Me)₂Cl
• CAS: 114674-44-1
• 化学式: C₃₆H₄₁ClP₂Ru
• 分子量: 672.192
• InChiKey: JAPDZZMDXFBFHQ-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(PPh2Me)2Cl 、 氯化新戊烷基镁 在 苯 作用下， 以 苯 为溶剂， 以23%的产率得到bis(methyldiphenylphosphine)(η5-pentamethylcyclopentadienyl)phenylruthenium
  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) 、 二苯基甲氧基膦 以 四氢呋喃 为溶剂， 生成 pentamethylcyclopentadienylRu(PPh2Me)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

• 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.
• Schenk, Wolfdieter A.; Dombrowski, Eberhard; Reuther, Irene, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1992, vol. 47, # 5, p. 732 - 740
  作者：Schenk, Wolfdieter A.、Dombrowski, Eberhard、Reuther, Irene、Stur, Thomas

  DOI：——

  日期：——
• 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：——
• Hydride and borohydride derivatives of (pentamethylcyclopentadienyl)(tertiary phosphine)ruthenium
  作者：Hiroharu Suzuki、Dong Hwan Lee、Noriaki Oshima、Yoshihiko Morooka

  DOI：10.1021/om00150a032

  日期：1987.7