[ruthenium(II)Cl(η5-C5H5)(PH(C6H5)2)(P(C6H5)3)] | 80822-10-2

• 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: [ruthenium(II)Cl(η5-C5H5)(PH(C6H5)2)(P(C6H5)3)]
• 英文别名: chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphane;triphenylphosphane
• CAS: 80822-10-2
• 化学式: C₃₅H₃₁ClP₂Ru
• 分子量: 650.102
• InChiKey: KULGBCPXRVULPK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.85
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  [ruthenium(II)Cl(η5-C5H5)(PH(C6H5)2)(P(C6H5)3)] 、 二苯基膦 以 氘代甲苯 为溶剂， 生成 、
  参考文献：
  名称：

  Cp'RuL 1 L 2 Cl与二苯基膦配体的磷氢键反应性研究

  摘要：

  描述了由Cp * Ru（PHPh 2）2 Cl（1）的氧化，氯化，水解和乙醇化所产生的产物。1中的PH键氯化可分离出Cp * Ru（PClPh 2）2 Cl（6），并且有光谱学证据表明存在Cp * Ru（PClPh 2）（PHPh 2）Cl（5）。化合物1和5的水解得到二氢化物络合物[Cp * Ru（H）2（OPPh 2）（POHPh 2）]（13）和阳离子物质[Cp * Ru（PHPh 2）3 ] Cl（14）和[Cp * RuPOHPh 2（PHPh 2）2 ] Cl（15）。通过经由添加[Cp * Ru（PHPh 2）3 ] OTf（16）的中间体[Cp * Ru（MeCN）（PHPh 2）2 ] OTf（16）合成[Cp * Ru（PHPh 2）3 ] OTf（14'）证实了14的形成。在MeCN解决方案中，AgOTf为1。（Cp * RuCl 2）2（12）在EtOH中与两当量的PHPh

  DOI：

  10.1016/s0022-328x(99)00191-6
• 作为产物：
  描述：

  二(三苯基膦)环戊二烯基氯化钌(II) 、 二苯基膦 以 甲苯 为溶剂， 以87%的产率得到[ruthenium(II)Cl(η5-C5H5)(PH(C6H5)2)(P(C6H5)3)]
  参考文献：
  名称：

  Substitution reactions of CpRu(PPh3)2Cl with PPh2H and dppa

  摘要：

  One PPh3 group of CpRu(PPh3)(2)Cl is easily substituted by PPh2H to give the asymmetrical complex CpRu(PPh3)(PPh2H)Cl (1) in a very good yield. Attempts to form the lambda(4)-phosphanediyl complex CpRu(PPh3)=PPh2 (1') by selective dehydrohalogenation of 1 failed. However, by using one equivalent of the chelating diphosphine dppa two PPh3 ligands are substituted to yield CpRu(dppa)Cl (2). With an excess of dppa the reaction yielded the N-iminophosphoranyl-substituted dppa complex CpRu{(PPh2)(2)NPPh2=NH}Cl (3) and PPh2H. H-1, C-13{H-1} and P-31{H-1} NMR, IR and mass spectra of 1-3 are given. Crystals of 1 are monoclinic, space group P2(1)/c with a = 11.8446(12), b = 14.502(3), c = 17.504(2) Angstrom and beta = 95.55(9)degrees, Z = 4 and R = 0.0270 for 4299 observed reflections. Crystals of 2 are monoclinic, space group P2(1)/c with a = 10.7616(14), b = 18.263(4), c = 13.859(2) Angstrom and beta = 110.41(1)degrees, Z = 4 and R = 0.0327 for 4227 observed reflections. (C) 1998 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05785-x

文献信息

• Synthesis, properties and crystal structures of pentamethylcyclopentadienyl- and cyclopentadienyl-ruthenium(II) diphenylphosphine complexes
  作者：Román Torres Lubián、M.Angeles Paz-Sandoval

  DOI：10.1016/s0022-328x(96)06769-1

  日期：1997.4

  The synthesis, characterization and single-crystal structure determination of chiral compounds (eta(5)-C5R5)Ru(pHph(2))(pph(3))Cl (R = H 3, R = Me 4) and prochiral Cp * Ru(PHPh2)(2)Cl (6) are described. Compound 6 has been available from reaction of PHPh2 and several starting materials. The X-ray structure comparison between 3, 4 and 6 allowed us to compare the influence of the phosphine, Cp and Cp * ligands in these half-sandwich compounds. In addition, a structural investigation was carried out on Cp*R(NBD)Cl(7).