| 214399-96-9

• CAS: 214399-96-9
• 化学式: C₂₁H₄₀NPRuS₂
• 分子量: 502.731
• InChiKey: KHQFZRULINTLDK-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

• 作为产物：
  描述：

  Cp(*)(triethylphosphine)2RuCl 、 sodium N,N-diethyldithiocarbamate 以 乙醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Half-Sandwich Ruthenium Phosphine Complexes with Sulfur-Donor Ligands. X-ray Crystal Structures of [Cp*RuH(SH)(PEt₃)₂][BPh₄] and [Cp*Ru(S₂COⁱPr)(PEt₃)]

  摘要：

  The complexes [CpRuCl(PEt3)(2)] (1) and [CpRuCl((PMePr2)-Pr-i)(PPh3)] (2) react with H2S in EtOH in the presence of NaBPh4 furnishing the green persulfide derivatives [{CpRu(L)}(2)(mu-S-2)][BPh4](2) (L = (PEt3)(2), ((PMePr2)-Pr-i)(PPh3)), which were also obtained by reaction of 1 or 2 with elemental sulfur and NaBPh4 in MeOH. At variance with this, the reaction of [Cp*RuCl(PEt3)(2)] (3) with H2S in EtOH afforded the Ru-IV hydrido-metallothiol [Cp*RuH(SH)(PEt3)(2)][BPh4], which has been structurally characterized, derived from the oxidative addition of SH2 to the electron-rich Ru-II moiety {[Cp*Ru(PEt3)(2)](+)}. This compound is oxidized to yield the persulfide complex [{Cp*Ru(PEt3)(2)}(2)(mu-S-2)][BPh4](2), which was also obtained by reaction of 3 with elemental sulfur. The reaction of 1, 2, and 3 with 2-mercapto-pyridine (HSPy) in EtOH yielded cationic complexes in which HSPy is tautomerized to its 1H-pyridine-thione form as inferred from spectral data. Compound 1 reacts with potassium alkyl-xanthates KS2COR (R = Me, Et, Pr-i) yielding compounds of the type [CpRu(eta(1)-S2COR)(PEt3)(2)], whereas the reaction of 2 and 3 led respectively to the complexes [CpRu(eta(2)-S2COR)((PMePr2)-Pr-i)] and [Cp*Ru(eta(2)-S2COR)(PEt3)], which contain one bidentate xanthate and one phosphine. The X-ray crystal structure of [Cp*Ru((S2COPr)-Pr-i)(PEt3)] was determined. In analogous fashion, the reaction of 1 with sodium diethyldithiocarbamate yielded [CpRu(eta(1)-S2CNEt2)(PEt3)(2)], whereas 2 and 3 afforded the corresponding derivatives [CpRu(eta(2)-S2CNEt2)((PMePr2)-Pr-i)] and [Cp*Ru(eta(2)-S2CNEt2)(PEt3)].

  DOI：

  10.1021/om980340h