trans-(Me3SiC4)[Ru2(2-anilinopyridinate)4(C2SiMe3)] | 404573-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: trans-(Me3SiC4)[Ru2(2-anilinopyridinate)4(C2SiMe3)]
• CAS: 404573-92-8
• 化学式: C₅₆H₅₄N₈Ru₂Si₂
• 分子量: 1097.41
• InChiKey: GFZRMNQEXBXURK-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：

  trans-(Me3SiC4)[Ru2(2-anilinopyridinate)4(C2SiMe3)] 在 K₂CO₃ 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以86%的产率得到trans-(HC4)[Ru2(2-anilinopyridinate)4(C2SiMe3)]
  参考文献：
  名称：

  Dissymmetrical trans-Ethynyl-Butadiynyl Adducts on a Diruthenium Core:  Synthesis, Characterization, and Selective Deprotection

  摘要：

  Reactions between the ethynyl complexes (4,0)-[Ru-2(aP)(4)](C2SiR3) (ap is 2-anilinopyridinate, R = Pr-i (1a) and CH3 (1b)) and LiC4SiMe3 result in the formation of dissymmetrical ethynyl-butadiynyl adducts trans-(4,0)-(Me3SiC4)[Ru-2(ap)(4)](C2SiR3) (R = Pr-i (2a) and CH3 (2b)). Treating 2b with K2CO3 in MeOH/THF leads to trans-(HC4)[Ru-2(ap)(4)](C2SiMe3) (3b) and trans-(HC4)[Ru-2(ap)(4)](C2H) (4) in 86% and ca. 10% yields, respectively, and the former can be quantitatively converted to 4 using NaOH. Treating 2a with NaOH in MeOH/THF yields trans-(HC4)[Ru-2(ap)(4)]((C2SiPr3)-Pr-i) (3a) only. Single-crystal structural analysis of 2a and 3b revealed that the Ru-Ru unit and the axial alkynyl ligands are approximately collinear in both molecules. Rich redox chemistry was revealed for all the compounds through voltammetric study: compound 1 exhibits reversible one-electron oxidation and reduction, and compounds 2-4 exhibit one one-electron oxidation and two one-electron reductions. All the ethynyl-butadiynyl adducts (2-4) exhibit an intense charge-transfer absorption of around 1035 nm, revealing a HOMO-LUMO gap of 1.20 eV.

  DOI：

  10.1021/om0109004
• 作为产物：
  描述：

  [Ru2(2-anilinopyridinate)4(C2SiMe3)] 、 (4-trimethylsilyl-1,3-butadiynyl)lithium 以 四氢呋喃 为溶剂， 以77%的产率得到trans-(Me3SiC4)[Ru2(2-anilinopyridinate)4(C2SiMe3)]
  参考文献：
  名称：

  Dissymmetrical trans-Ethynyl-Butadiynyl Adducts on a Diruthenium Core:  Synthesis, Characterization, and Selective Deprotection

  摘要：

  Reactions between the ethynyl complexes (4,0)-[Ru-2(aP)(4)](C2SiR3) (ap is 2-anilinopyridinate, R = Pr-i (1a) and CH3 (1b)) and LiC4SiMe3 result in the formation of dissymmetrical ethynyl-butadiynyl adducts trans-(4,0)-(Me3SiC4)[Ru-2(ap)(4)](C2SiR3) (R = Pr-i (2a) and CH3 (2b)). Treating 2b with K2CO3 in MeOH/THF leads to trans-(HC4)[Ru-2(ap)(4)](C2SiMe3) (3b) and trans-(HC4)[Ru-2(ap)(4)](C2H) (4) in 86% and ca. 10% yields, respectively, and the former can be quantitatively converted to 4 using NaOH. Treating 2a with NaOH in MeOH/THF yields trans-(HC4)[Ru-2(ap)(4)]((C2SiPr3)-Pr-i) (3a) only. Single-crystal structural analysis of 2a and 3b revealed that the Ru-Ru unit and the axial alkynyl ligands are approximately collinear in both molecules. Rich redox chemistry was revealed for all the compounds through voltammetric study: compound 1 exhibits reversible one-electron oxidation and reduction, and compounds 2-4 exhibit one one-electron oxidation and two one-electron reductions. All the ethynyl-butadiynyl adducts (2-4) exhibit an intense charge-transfer absorption of around 1035 nm, revealing a HOMO-LUMO gap of 1.20 eV.

  DOI：

  10.1021/om0109004