(η5-C5Me5)Ru(S2CO(i)Pr)(PPh3) | 929109-31-9

• 英文名称: (η5-C5Me5)Ru(S2CO(i)Pr)(PPh3)
• 英文别名: 1,2,3,4,5-pentamethylcyclopenta-1,3-diene;propan-2-yloxymethanedithioate;ruthenium(2+);triphenylphosphane
• CAS: 929109-31-9
• 化学式: C₃₂H₃₇OPRuS₂
• 分子量: 633.821
• InChiKey: AWGSHALXBLJWMC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.63
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [(η5-C5Me5)RuCl2(S2CO(i)Pr)] 、 三苯基膦 以 乙腈 为溶剂， 以60%的产率得到(η5-C5Me5)Ru(S2CO(i)Pr)(PPh3)
  参考文献：
  名称：

  Synthetic and X-ray Structural and Reactivity Studies of Cp*Ru^IV Complexes Containing Bidentate Dithiocarbonate, Xanthate, Carbonate, and Phosphinate Ligands (Cp* = η⁵-C₅Me₅)

  摘要：

  The reaction of [Cp*RuCl2](2) (1; Cp* = eta(5)-C5Me5) with tetraalkyldithiuram disulfides (R2NC(S)SS(S)CNR2, R = Me, Et), isopropylxanthic disulfide ([(PrOC)-Pr-i(S)S](2)), and bis(thiophosphoryl) disulfide ([((PrO)-Pr-i)(2)P(S)S](2)) led to the isolation of dark-red crystalline solids of Cp*(RuCl2)-Cl-IV(eta(2)-dithiolate) complexes [dithiolate = S2CNR2, DTCR (2a, R = Me; 2b, R = Et), (S2COPr)-Pr-i (3), and S2P((PrO)-Pr-i)(2) (4)]. Dichlorido substitution in 2 and 3 with DTCEt and (S2COPr)-Pr-i anions yielded Ru-IV derivatives containing bis(DTC) and mixed DTC-dithiocarbonate ligands. These are the first organoruthenium complexes of such ligands. The reaction of monophosphines with 2a resulted in monochlorido substitution, whereas the analogous reaction with 3 resulted in displacement of both chlorido ligands and reduction of the metal center to Ru-II. Reduction at Ru was also observed in the reaction of 2a with [CpCr(CO)(3)](2). Of these complexes, only 2 and 3 are air-stable in the solid state for an extended period. All of the complexes have been spectrally characterized, and selected compounds are also crystallographically characterized.

  DOI：

  10.1021/ic061781t