{(2,3,4,5,tetramethylthiophene)(p-cymene)Ru}(2+) | 68246-44-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: {(2,3,4,5,tetramethylthiophene)(p-cymene)Ru}(2+)
• CAS: 68246-44-6
• 化学式: C₈H₁₂S*C₁₀H₁₄*Ru
• 分子量: 375.54
• InChiKey: FRAOIYPETKJKRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  {(2,3,4,5,tetramethylthiophene)(p-cymene)Ru}(2+) 以 重水 为溶剂， 生成
  参考文献：
  名称：

  （环）Ru2 +（环=四甲基噻吩，对甲基异丙基苯）的化学性质

  摘要：

  Described are the compounds [(ring)Ru(OTf)2]x, where ring = 2,3,4, 5-tetramethylthiophene (TMT, 1), and p-cymene (2). These electrophilic reagents serve as precursors to [(ring)RuL3]2+, where L3 = (H2O)3, (NH3)3, and (PH3)3. Solutions of 1 and 2 react with carbon monoxide to give (ring)Ru(CO)(OTf)2. The addition of thiophenes to CH2Cl2 solutions of 1 or 2 leads to the precipitation of the sandwich compounds [(ring)(SC4R4)Ru](OTf)2, where SC4R4 = thiophene, 2,5-dimethylthiophene, and TMT. [(TMT)Ru(H2O)3](OTf)2 was characterized by single-crystal X-ray crystallography, which established a piano-stool geometry with a planar TMT ligand. [(TMT)Ru(D2O)3](OTf)2 decomposes in D2O solution at 150-degrees-C to give [(TMT)2Ru]2+, which undergoes selective deuteration at the 2,5-methyl groups. D2O solutions of [(TMT)2Ru]2+ undergo photochemical loss of one TMT ligand in water to give [(TMT)Ru(D2O)3]2+. Photolysis of an aqueous solution of [(TMT)(p-cymene)Ru]2+ gives primarily [(TMT)Ru(H2O)3]2+. A procedure is described for the reversible loading of 1 onto gamma-alumina, which in turn was characterized by C-13 CP-MAS NMR spectroscopy.

  DOI：

  10.1021/om00047a060