| 138061-90-2

• CAS: 138061-90-2
• 化学式: C₁₇H₁₂O₁₀Ru₃S
• 分子量: 711.552
• InChiKey: HBTFJMBWJSUTBD-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：

  以 正己烷 为溶剂， 以47%的产率得到
  参考文献：
  名称：

  通过硫代烯丙基阳离子络合物形成硫代钌羰基簇

  摘要：

  Tetramethylallene episulfide (1a) reacts with Ru3(CO)12 to afford the oxidative addition hydride clusters Ru3(CO)10[mu-S(C = CMe2)C(Me2) = CH2](mu-H) (2) and Ru3(CO)9[mu-S(C = CMe2)C(Me = CH2](mu-H) (3), respectively. The structure of 2 was characterized crystallographically. The cluster 2 undergoes decarbonylation at 60-degrees-C to form 3 in 47% yield. The cluster 3 can regenerate 2 by bubbling with carbon monoxide under 1 atm of pressure at room temperature, in 80% yield. The chemical correlations leave little doubt about the structure of 3 which has a six-electron donating (mu-S)(mu-H)-eta(2)-dimethylpentadine ligand. The reaction of 1-tert-butyl-3,3-diphenylallene 1-episulfide (1b) with Ru3(CO)12 resulted in the formation of the cluster Ru3(CO)10[2-(mu-S)-1-tert-butyl-3-phenylindene](mu-H) (5). The X-ray structure of 5 shows that intramolecular cyclization has occurred besides C-S bond cleavage. The thioallyl cation complexes 9 and 10 are the intermediates of the formation of clusters 2 and 5. Upon warming to 80-120-degrees-C, 2 and 5 were finally converted to desulfurized products 2,4-dimethyl-1,3-pentadiene (6) (quantitative) and 1-tert-butyl-3-phenylindene (7) (56%) along with thio cluster HRu5(CO)15[2-(mu-S)-1-tert-butyl-3-phenylindene](mu-4-S) (8) (30%).

  DOI：

  10.1021/om00038a018
• 作为产物：
  描述：

  在 CO 作用下， 以 正己烷 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  通过硫代烯丙基阳离子络合物形成硫代钌羰基簇

  摘要：

  Tetramethylallene episulfide (1a) reacts with Ru3(CO)12 to afford the oxidative addition hydride clusters Ru3(CO)10[mu-S(C = CMe2)C(Me2) = CH2](mu-H) (2) and Ru3(CO)9[mu-S(C = CMe2)C(Me = CH2](mu-H) (3), respectively. The structure of 2 was characterized crystallographically. The cluster 2 undergoes decarbonylation at 60-degrees-C to form 3 in 47% yield. The cluster 3 can regenerate 2 by bubbling with carbon monoxide under 1 atm of pressure at room temperature, in 80% yield. The chemical correlations leave little doubt about the structure of 3 which has a six-electron donating (mu-S)(mu-H)-eta(2)-dimethylpentadine ligand. The reaction of 1-tert-butyl-3,3-diphenylallene 1-episulfide (1b) with Ru3(CO)12 resulted in the formation of the cluster Ru3(CO)10[2-(mu-S)-1-tert-butyl-3-phenylindene](mu-H) (5). The X-ray structure of 5 shows that intramolecular cyclization has occurred besides C-S bond cleavage. The thioallyl cation complexes 9 and 10 are the intermediates of the formation of clusters 2 and 5. Upon warming to 80-120-degrees-C, 2 and 5 were finally converted to desulfurized products 2,4-dimethyl-1,3-pentadiene (6) (quantitative) and 1-tert-butyl-3-phenylindene (7) (56%) along with thio cluster HRu5(CO)15[2-(mu-S)-1-tert-butyl-3-phenylindene](mu-4-S) (8) (30%).

  DOI：

  10.1021/om00038a018