| 1007559-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• CAS: 1007559-13-8
• 化学式: C₁₆H₁₆N₂O₃S
• 分子量: 316.381
• InChiKey: MLXWZBIIGOYOOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.41
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 copper(II) acetate monohydrate 以 甲醇 、 二氯甲烷 为溶剂， 以52%的产率得到
  参考文献：
  名称：

  Synthesis, Stability, and Complexation Behavior of Isolable Salen-Type N₂S₂ and N₂SO Ligands Based on Thiol and Oxime Functionalities

  摘要：

  The new salen-type N2S2 tetradentate ligands, H2L1 and H2L2, which have a donor set comprising oxime and thiol groups, were synthesized. These ligands are obtained as isolable colorless crystals, whereas the imine analogues are too unstable to be isolated. The unsymmetrical N2SO ligands, H2L3 and H2L4, were also obtained as stable compounds. When ligands H2L1-H2L1 are heated above the melting points, they mainly decompose via cleavage of the N-O bonds of a thiosalicylaldoxime moiety to give 1,2-benzisothiazole derivatives. The complexation of the N2S2 ligands (H2L1 and H2L2) with nickel(II) acetate afforded square-planar mononuclear complexes [Ni(L-1)] and [Ni(L-2)], respectively. In contrast, the complexation of the N2SO ligand H2L3 with nickel(II) acetate resulted in cleavage of the N-O bond, giving a tetranuclear complex having a cubane-type Ni4O4 core. The N-O bonds of H2L1-H2L4 are more readily cleaved when the ligands are allowed to react with copper(II) acetate. In these cases, the alkoxo-bridged dinuclear complexes having a Cu-O-Cu-O four-membered ring are obtained. On the other hand, mononuclear complexes can be obtained by complexation of the ligands (H2L1 or H2L3) with palladium(II) acetate without N-O bond cleavage.

  DOI：

  10.1021/ic701525c