tris(4-methylpiperazine-1-carbodithioato)cobalt(III) | 88921-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tris(4-methylpiperazine-1-carbodithioato)cobalt(III)
• CAS: 88921-69-1
• 化学式: C₁₈H₃₃CoN₆S₆
• 分子量: 584.889
• InChiKey: OPKPKKLWBPMHDO-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  31.0
• 可旋转键数：
  0.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  19.44
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  tris(4-methylpiperazine-1-carbodithioato)cobalt(III) 、 氢溴酸 以 氯仿 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Spectral and magnetic studies on normal cobalt(II) planar and cobalt(III) octahedral, spin-crossover cobalt(III) octahedral and planar-tetrahedral cobalt(II) carbodithioates

  摘要：

  Five cobalt(II) complexes, a normal complex Co(4-PPipzcdt)(2) (4-PPipzcdt = 4-phenylpiperazine-1-carbodithioate), and four zwitterionic complexes, Co( 4-PPipzcdtH)(2)X(2) and Co(4-MPipzcdtH)(2)X(2) (X = Cl, Br; 4-PPipzcdtH = 4-phenylpiperazine-1-carbodithioic acid, 4-MPipzcdtH = 4-methylpiperazine-1-carbodithioic acid), have been synthesized. Normal cobalt(III) complexes of the type Co(4-MPipzcdt)(3) and Co-2 {2-MPipz(cdt)(2)}(3) (2-MPipz(cdt)(2) = 2-methylpiperazine-1,4-dicarbodithioate) and two zwitterionic cobalt(III) complexes of the type Co(4-MPipzcdtH)(3)X(3) (X = Cl, Br) have also been obtained. In addition to the room temperature IR and electronic spectra and magnetic susceptibility studies, all the complexes, except the normal Co(4-MPipzcdt)(3) and Co(4-PPipzcdt)(2) and zwitterionic Co(4-MPipzcdtH)(3)Cl-3 have been investigated by variable-temperature magnetic susceptibility measurements. The results of the variable-temperature magnetic susceptibility studies suggest that two cobalt(II) carbodithioates exhibit a square planar-tetrahedral equilibrium, while two cobalt(III) octahedral carbodithioates show a spin-crossover phenomenon.

  DOI：

  10.1016/0277-5387(95)00178-u
• 作为产物：
  描述：

  sodium 4-methylpiperazine-1-carbodithioate monohydrate 、 cobalt(II) diacetate tetrahydrate 以 甲醇 为溶剂， 生成 tris(4-methylpiperazine-1-carbodithioato)cobalt(III)
  参考文献：
  名称：

  Spectral and magnetic studies on normal cobalt(II) planar and cobalt(III) octahedral, spin-crossover cobalt(III) octahedral and planar-tetrahedral cobalt(II) carbodithioates

  摘要：

  Five cobalt(II) complexes, a normal complex Co(4-PPipzcdt)(2) (4-PPipzcdt = 4-phenylpiperazine-1-carbodithioate), and four zwitterionic complexes, Co( 4-PPipzcdtH)(2)X(2) and Co(4-MPipzcdtH)(2)X(2) (X = Cl, Br; 4-PPipzcdtH = 4-phenylpiperazine-1-carbodithioic acid, 4-MPipzcdtH = 4-methylpiperazine-1-carbodithioic acid), have been synthesized. Normal cobalt(III) complexes of the type Co(4-MPipzcdt)(3) and Co-2 {2-MPipz(cdt)(2)}(3) (2-MPipz(cdt)(2) = 2-methylpiperazine-1,4-dicarbodithioate) and two zwitterionic cobalt(III) complexes of the type Co(4-MPipzcdtH)(3)X(3) (X = Cl, Br) have also been obtained. In addition to the room temperature IR and electronic spectra and magnetic susceptibility studies, all the complexes, except the normal Co(4-MPipzcdt)(3) and Co(4-PPipzcdt)(2) and zwitterionic Co(4-MPipzcdtH)(3)Cl-3 have been investigated by variable-temperature magnetic susceptibility measurements. The results of the variable-temperature magnetic susceptibility studies suggest that two cobalt(II) carbodithioates exhibit a square planar-tetrahedral equilibrium, while two cobalt(III) octahedral carbodithioates show a spin-crossover phenomenon.

  DOI：

  10.1016/0277-5387(95)00178-u

文献信息

• Synthesis, spectral and structural characterization of cobalt(III) dithiocarbamato complexes: Catalytic application for the solvent free enamination reaction
  作者：Pooja Bharati、A. Bharti、P. Nath、M.K. Bharty、R.J. Butcher、N.K. Singh

  DOI：10.1016/j.poly.2015.10.007

  日期：2015.12

  using 1–2 mol% of the above cobalt(III) complexes as catalysts and these have been characterized by NMR, GC–MS and X-ray crystallography. Complexes 1, 2 and 3 are stabilized by intermolecular C–H⋯S interactions, leading to the formation of supramolecular architectures. Thermogravimetric analysis of complexes 1 and 2 have been investigated by TG-DTA, which indicate that cobalt sulfide is formed as the

  一些新的钴（III）配合物[Co（mpcdt）3 ]（1），[Co（ppcdt）3 ]（2）和[Co（mppcdt）3 ]·0.25CHCl的合成，光谱，结构和催化性能参照图3（3），已经描述了衍生自4-甲基哌嗪-1-碳二硫酸酯（mpcdt），4-苯基哌嗪-1-碳二硫酸酯（ppcdt）和4-（2-甲氧基苯基）哌嗪-1-碳二硫代酸酯（mppcdt）。使用1–2 mol％的上述钴（III）配合物，通过β-酮酸酯和1,3-二酮与脂肪族和芳香族胺的反应，可以得到约90％的产率的一系列β-烯胺酯和β-烯酮。催化剂，并已通过NMR，GC-MS和X射线晶体学进行了表征。复合体1，2和3是通过分子间C-H⋯小号相互作用来稳定，导致超分子结构的形成。通过TG-DTA研究了配合物1和2的热重分析，结果表明形成了硫化钴作为最终产物。