[Zn(2-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)amino]propane-2-thiolate)Mes] | 1410236-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Zn(2-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)amino]propane-2-thiolate)Mes]
• CAS: 1410236-31-5
• 化学式: C₂₁H₃₀N₂SZn
• 分子量: 407.939
• InChiKey: XNTWRPCMPIBUBH-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

• 作为反应物：
  描述：

  [Zn(2-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)amino]propane-2-thiolate)Mes] 、 nitrosonium tetrafluoroborate 以 乙腈 为溶剂， 反应 2.0h， 以63%的产率得到C-nitrosomesitylene dimer
  参考文献：
  名称：

  Reactions of Organozinc Thiolates with Nitrosonium Ion: C-Nitroso Formation by Possible Transnitrosation

  摘要：

  The organometallic complexes [ZnPAThEt] and [ZnPAThMes], where PATh is 2-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)amino]propane-2-thiolate, were prepared and their reactions with NOBF4 investigated. Formation of C-nitrosoethane and C-nitrosomesitylene, respectively, was established, and structural characterization of the latter by X-ray crystallography conclusively proved the dimeric nature of [MesNO](2) in the solid state. A transnitrosation pathway for C-nitroso formation is proposed based on theoretical calculations.

  DOI：

  10.1021/om300922m