dimethyl 2,2'-(((((2-hydroxy-5-methyl-1,3-phenylene)bis(methaneylylidene))bis(azaneylylidene))bis(ethane-2,1-diyl))bis(azanediyl))bis(cyclopent-1-ene-1-carbodithioate) | 140235-57-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: dimethyl 2,2'-(((((2-hydroxy-5-methyl-1,3-phenylene)bis(methaneylylidene))bis(azaneylylidene))bis(ethane-2,1-diyl))bis(azanediyl))bis(cyclopent-1-ene-1-carbodithioate)
• CAS: 140235-57-0
• 化学式: C₂₇H₃₆N₄OS₄
• 分子量: 560.873
• InChiKey: DVPSQNSUJANNCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  36.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  69.01
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  zinc(II) perchlorate 、 dimethyl 2,2'-(((((2-hydroxy-5-methyl-1,3-phenylene)bis(methaneylylidene))bis(azaneylylidene))bis(ethane-2,1-diyl))bis(azanediyl))bis(cyclopent-1-ene-1-carbodithioate) 在 triethylamine 作用下， 以 乙腈 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and electrochemistry of copper(II), nickel(II), cobalt(II) and zinc(II) complexes of a binucleating ligand with [N2S]2O donors

  摘要：

  A heptadentate ligand (H3L) with a phenoxo group bridging two metal centres has been synthesized by reacting 4-methyl-2,6-diformylphenol with methyl 2-((2-aminoethyl)amino)cyclopent-1-enedithiocarboxylate. Mono- and binuclear complexes of copper(II), nickel(II), cobalt(II) and zinc(II) have been synthesized and characterized by their UV-vis, IR, H-1 and C-13 NMR and EPR spectra. The electrochemistry of the complexes has been studied and the factors affecting electron-transfer reactions of the binuclear complexes vis-a-vis corresponding mononuclear complexes have been examined.

  DOI：

  10.1016/s0277-5387(00)83180-0