Ru(CCC6H4CH=CHC5H4N)(PPh3)2(η(5)-C5H5) | 189190-27-0

• 英文名称: Ru(CCC6H4CH=CHC5H4N)(PPh3)2(η(5)-C5H5)
• CAS: 189190-27-0
• 化学式: C₅₆H₄₅NP₂Ru
• 分子量: 894.998
• InChiKey: JACGKODZDVLBDB-UHFFFAOYSA-N

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：

  fac-W(CO)3(bis(diphenylphoshino)ethane)(acetone) 、 Ru(CCC6H4CH=CHC5H4N)(PPh3)2(η(5)-C5H5) 以 四氢呋喃 为溶剂， 以80%的产率得到Ru(CCC6H4CH=CHC5H4N(W(CO)3(η(2)-dppe)))(PPh3)2(η(5)-C5H5)
  参考文献：
  名称：

  Syntheses and Reactivity of Ruthenium σ-Pyridylacetylides

  摘要：

  Ruthenium sigma-acetylides containing a dangling pyridine were synthesized from the reactions of CpRu(L)(2)Cl (L = PPh3, 1/2 (C5H4PPh2)(2)Fe) with 4-ethynylpyridine, (E)-1-(4-ethynylphenyl)-2-(4-pyridyl)ethylene, or 4-(ethynylphenyl)(4-pyridyl)acetylene in the presence of NH4+PF6- followed by deprotonation with a base. The dangling pyridine can be protonated, methylated, or ligated to tungsten carbonyl fragments. The ruthenium donor to the pyridinium acceptor charge-transfer absorption appears at longer wavelength as the conjugation chain becomes longer. The quadratic hyperpolarizabilities of the methylated derivatives were determined using the hyper Rayleigh scattering method. X-ray analysis was employed to examine the structure of the dinuclear complex Ru(C=CC5H4N{W(CO)(4)(PPh3)})(eta(2)-dppf)(eta(5)-C5H5) (dppf = 1,1'-bis(diphenylphosphino)ferrocene).

  DOI：

  10.1021/om9610657
• 作为产物：
  描述：

  在 NaOMe 作用下， 以 甲醇 为溶剂， 以89%的产率得到Ru(CCC6H4CH=CHC5H4N)(PPh3)2(η(5)-C5H5)
  参考文献：
  名称：

  Syntheses and Reactivity of Ruthenium σ-Pyridylacetylides

  摘要：

  Ruthenium sigma-acetylides containing a dangling pyridine were synthesized from the reactions of CpRu(L)(2)Cl (L = PPh3, 1/2 (C5H4PPh2)(2)Fe) with 4-ethynylpyridine, (E)-1-(4-ethynylphenyl)-2-(4-pyridyl)ethylene, or 4-(ethynylphenyl)(4-pyridyl)acetylene in the presence of NH4+PF6- followed by deprotonation with a base. The dangling pyridine can be protonated, methylated, or ligated to tungsten carbonyl fragments. The ruthenium donor to the pyridinium acceptor charge-transfer absorption appears at longer wavelength as the conjugation chain becomes longer. The quadratic hyperpolarizabilities of the methylated derivatives were determined using the hyper Rayleigh scattering method. X-ray analysis was employed to examine the structure of the dinuclear complex Ru(C=CC5H4N{W(CO)(4)(PPh3)})(eta(2)-dppf)(eta(5)-C5H5) (dppf = 1,1'-bis(diphenylphosphino)ferrocene).

  DOI：

  10.1021/om9610657