| 157384-71-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 157384-71-9
• 化学式: C₁₆H₂₂IN₃PdS
• 分子量: 521.761
• InChiKey: DASXQIKDZSBTRC-UHFFFAOYSA-L

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：

  N,N-dimethyl-1H-pyrrole-2-carbothioamide 以 甲醇 、 二氯甲烷 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Palladium(II) complexes of N,N-dimethylpyrrole-1- and 2-carbothioamides

  摘要：

  The reaction of the sodium salt of pyrrole with N,N-dimethylthiocarbamoyl chloride in N,N-dimethylformamide gave N,N-dimethylpyrrole-1-carbothioamide (Hnpt), while the reaction of pyrrole with N,N-dimethylthiocarbamoyl chloride under phase transfer conditions afforded N,N-dimethylpyrrole-2-carbothioamide (Hapt), together with a very small amount of N,N,N',N'-tetramethylpyrrole-1,2-dicarbothioamide. Hnpt and Hapt were metallated with lithium tetrachloropalladate in methanol to yield PdCl(npt) and PdCl(apt), respectively. Both complexes reacted with tri-n-butylphosphine (PBu3) and 4-tert-butyl-pyridine (tbp), forming PdCl(npt)(PBu3), PdCl(npt)(tbp), PdCl(apt)(PBu3) and PdCl(apt)(tbp). These and some additional complexes were characterized spectroscopically. In the npt complexes, the ligand was cyclopalladated at C(2) of the pyrrole ring, forming a five-membered, organometallic chelate ring accompanied by thioamide sulphur coordination. In the apt complexes, the ligand acted as a bidentate N-S chelate, the ring N-H proton being deprotonated. The X-ray analysis of PdCl(npt)(PBu3) and PdCl(apt)(PBu3) confirmed the coordination modes.

  DOI：

  10.1016/s0277-5387(00)83456-7