bis(2,6-dimethylphenylimido)methylbis(thiophenolato)rhenium(VII) | 134695-27-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: bis(2,6-dimethylphenylimido)methylbis(thiophenolato)rhenium(VII)
• CAS: 134695-27-5
• 化学式: C₂₉H₃₁N₂ReS₂
• 分子量: 657.918
• InChiKey: KEBBNVMZECANOX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  34.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  tris(2,6-dimethylphenylimino)methylrhenium(VII) 、 苯硫酚 以 正戊烷 为溶剂， 以80%的产率得到bis(2,6-dimethylphenylimido)methylbis(thiophenolato)rhenium(VII)
  参考文献：
  名称：

  Selective substitution of an imido ligand in alkyl- and aryl-imido rhenium(VII) complexes; crystal structures of (2,6-dimethylphenyl)ammonium trichlorobis(2,6-dimethylphenyl-imido)methylrhenate(VII) and bis(2,6-dimethylphenylimido)methylbis(neopentyl)rhenium(VII)

  摘要：

  Reaction of ReMeO3 and 2,6-dimethylphenyl isocyanate gives the imido complex [ReMe(NR)3] (R = 2,6-Me2C6H3). Complexes of the type [ReMe(NR)3] or [ReMe(NBu(t))3] undergo selective substitution of only one imido ligand to form bis(imido) derivatives. Thus, [ReMe(NBu(t))3] reacts with the weak acid catechol via protonation of one imido ligand to form a stable five-co-ordinate complex [ReMe(NBu(t))2(O2C6H4)]. In contrast, [ReMe(NR)3] forms a complex which can only be isolated in a pure state by the addition of pyridine (py) to give the six-co-ordinate [ReMe(NR)2(O2C6H4)(py)]. The complex [ReMe(NR)3] also reacts with thiophenol to give five-co-ordinate [ReMe(NR)2(SPh)2]. Reaction of [ReMe(NR)3] with HCl gives the ionic complex [NH3R][ReMeCl3(NR)2]. The crystal structure of this complex was determined by X-ray crystallography. The neutral dihalide complexes [ReMe(NR)2X2(py)] (X = Cl or Br) are prepared from [ReMe(NR)3] by the addition of 2 equivalents of pyridinium halide. Alkylation of the dichloro or dibromo derivative with neopentylmagnesium chloride gives the novel mixed-alkyl complex [ReMe(CH2Bu(t))2NR)2] as a mixture of two isomers, the structure of one of which was determined by X-ray crystallography.

  DOI：

  10.1039/dt9910000797