| 164155-09-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 164155-09-3
• 化学式: C₁₀H₁₄NOReS₃
• 分子量: 446.632
• InChiKey: LIQBTRSDIANZSD-UHFFFAOYSA-K

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：

  、 碘甲烷 以 neat (no solvent) 为溶剂， 以25%的产率得到
  参考文献：
  名称：

  Unexpected formation of the new oxorhenium (V) complex [ReO(NH(CH2CH2S)2)(SC6H5)] obtained by NC cleavage of the tripodal ligand N(CH2CH2SH)3

  摘要：

  The tripodal ligand 2,2',2''-nitrilotris(ethanethiol) (N(SH)(3)=N(CH2CH2SH)(3)) reacts with [ReO(SC6H5)(4)](-) as rhenium(V) precursor to give unexpectedly the square-pyramidal oxorhenium(V) species [ReO(NH(CH2CH2S)(2))(SC6H5)] (1). The reaction mechanism is assumed to involve cleavage of the chelate ligand catalysed by the metal core. Treatment of 1 with methyl iodide at room temperature leads to substitution of the thiolate ligand by iodide and methylation of the amine nitrogen to the compound [ReO(NCH3(CH2CH2S)(2))I] (2).

  DOI：

  10.1016/s0020-1693(96)05461-8
• 作为产物：
  描述：

  tris(2-mercaptoethyl)amine 、 以 乙腈 为溶剂， 以47%的产率得到
  参考文献：
  名称：

  Unexpected formation of the new oxorhenium (V) complex [ReO(NH(CH2CH2S)2)(SC6H5)] obtained by NC cleavage of the tripodal ligand N(CH2CH2SH)3

  摘要：

  The tripodal ligand 2,2',2''-nitrilotris(ethanethiol) (N(SH)(3)=N(CH2CH2SH)(3)) reacts with [ReO(SC6H5)(4)](-) as rhenium(V) precursor to give unexpectedly the square-pyramidal oxorhenium(V) species [ReO(NH(CH2CH2S)(2))(SC6H5)] (1). The reaction mechanism is assumed to involve cleavage of the chelate ligand catalysed by the metal core. Treatment of 1 with methyl iodide at room temperature leads to substitution of the thiolate ligand by iodide and methylation of the amine nitrogen to the compound [ReO(NCH3(CH2CH2S)(2))I] (2).

  DOI：

  10.1016/s0020-1693(96)05461-8