| 164797-86-8

• CAS: 164797-86-8
• 化学式: C₁₅H₁₅N₂OSW*F₆P
• 分子量: 600.177
• InChiKey: PTNVPAMRDZUONR-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：

  ammonium hexafluorophosphate 、 2-甲硫基-4-嘧啶酮 、 bis(cyclopentadienyl)tungsten dichloride 在 triethylamine 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Uracil and thiouracil complexes of dicyclopentadienyl molybdenum and tungsten: Preparation and electrochemistry. The structures of [M(η5-C5H5)2(2-SN2OC4H3)][PF6], [M(η5-C5H5)2{2-S(CH3)N2OC4H2}][PF6], [Mo(η5-C5H5)2 (4-SN2OC4H3)][PF6] and [Mo(η5-C5H5)2{4-S(CH3)N2OC4H2}][PF6] (M  Mo and W)

  摘要：

  Cationic complexes [MoCp(2)(U)][PF6] (1), [MCp(2)(2TU)][PF6] (2, 2'), [MCp(2)(4TU)][PF6] (3, 3'), [MoCp(2)(2,4-DTU)]Cl (4), [MCp(2)(2MTU)][PF6] (5, 5') and [MCp(2)(4MTU)][PF6] (6, 6') (M = Mo, W; Cp = eta(5)-C5H5; U = uracilato; 2TU = 2-thiouracilato; 4TU = 4-thiouracilato; 2,4-DTU = 2,4-dithiouracilato; 2MTU = 2-methylthhiouracilato and 4MTU = 4-methylthiouracilato) have been prepared from the reaction of [MCp(2)Cl(2)] with the corresponding uracil in the presence of triethylamine. All the uracilato derivatives act as bidentate ligands and experimental evidence CX-ray and IR) shows the following preference for binding atoms in this system: N(3) > N(1), = S > = O, O(2) > O(4); although there is no clear evidence it is also likely that S(2) > S(4). Electrochemical studies, by cyclic voltammetry carried out in acetonitrile or dimethylformamide, showed that compounds where ligands coordinate through N,S atoms are more stable upon oxidation than compounds where ligands coordinate through N,O donor atoms. The molecular structures of [MoCp(2)(2TU)][PF6] (2), [WCp(2)(2TU)][PF6] (2'), [MoCp(2)(4TU)][PF6] (3), [MoCp(2)(2MTU)][PF6] (5), [WCp(2)(2MTU)][PF6] (5') and [MoCp(2)(4MTU)][PF6] (6) have been determined by X-ray crystallography.

  DOI：

  10.1016/0277-5387(94)00288-p