[Cu(2-methylthio-N-(2-pyridylmethyl)acetamide(-1H))(2,6-dimethylthiophenolate)] | 807614-25-1

• 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: [Cu(2-methylthio-N-(2-pyridylmethyl)acetamide(-1H))(2,6-dimethylthiophenolate)]
• CAS: 807614-25-1
• 化学式: C₈H₉S*C₉H₁₁N₂OS*Cu
• 分子量: 396.037
• InChiKey: DIROGGZVJIXJPD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.06
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  [Cu(2-methylthio-N-(2-pyridylmethyl)acetamide(-1H))Cl(MeOH)] 、 sodium 2,6-dimethylphenylthiolate 以 甲醇 为溶剂， 生成 [Cu(2-methylthio-N-(2-pyridylmethyl)acetamide(-1H))(2,6-dimethylthiophenolate)]
  参考文献：
  名称：

  Synthesis, Characterization, and Reactivity of New Copper(II) Complexes of 2-Methylthio-N-(2-pyridylmethyl)acetamide

  摘要：

  Copper(II) complexes were prepared with the new N2S(thioether) ligand 2-methylthio-N-(2-pyridylmethyl)acetamide (2-HLN2S). [Cu(2-L-N2S)Cl(MeOH)], which formed in the presence of excess triethylamine, is a distorted square pyramidal complex containing the ligand with the amide nitrogen deprotonated. The structurally analogous complex, [Cu(2-HLN2S)Cl-2], which formed in the absence of triethylamine, contains 2-HLN2S in the tautomeric imidic acid form. Neutral copper(II) N2S(thioether)S(thiolate) species were generated by addition of alkyl or aromatic thiolates to [Cu(2-L-N2S)Cl(MeOH)] and an unusual decomposition pathway was discovered.

  DOI：

  10.1021/ic049136e