Co(II) phenylpiperazinedithiocarbamate | 106756-24-5

• 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: Co(II) phenylpiperazinedithiocarbamate
• 英文别名: bis(4-phenylpiperazine-1-carbodithioato)cobalt(II)；cobalt(2+);4-phenylpiperazine-1-carbodithioate
• CAS: 106756-24-5
• 化学式: C₂₂H₂₆CoN₄S₄
• 分子量: 533.732
• InChiKey: YOKQZKXWTAAQMZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  31.0
• 可旋转键数：
  2.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  盐酸 、 Co(II) phenylpiperazinedithiocarbamate 以 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：

  cobalt(II) chloride hexahydrate 、 sodium 4-phenylpiperazine-1-carbodithioate 以 乙醇 、 水 为溶剂， 生成 Co(II) phenylpiperazinedithiocarbamate
  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, characterization, and electrochemical studies of Co(II, III) dithiocarbamate complexes
  作者：Fartisincha P. Andrew、Peter A. Ajibade

  DOI：10.1080/00958972.2019.1596263

  日期：2019.4.3

  molecule of toluene. The redox behaviors of the complexes were studied by cyclic and square wave voltammetry in dichloromethane; the result revealed a metal centered redox process consisting of a one-electron quasi-reversible process assigned to Co(III)/Co(IV) oxidation and a corresponding Co(IV)/Co(III) reduction. Randles–Sevcik plots (anodic peak current versus the square root of the scan rate (Ip

  摘要 合成了 N-甲基苯基、1-苯基哌嗪和吗啉基二硫代氨基甲酸酯的钴 (II) 配合物，并通过紫外-可见光、FTIR、1H-、13C-NMR 和质谱进行了表征。光谱数据表明，两个配体以双齿配位螯合金属离子形成四配位钴 (II) 配合物 (1-3)，这通过具有 m/z 的配合物的质量分析 (TOF MS ES+) 得到证实。 M]+ = 450.98、382.94 和 382.94（对于 1、2 和 3）。2A 和 3A 的单晶分析显示中心对称单核钴 (III) 与三个二硫代氨基甲酸酯配体键合，形成扭曲的八面体几何形状，表明钴 (II) 在重结晶过程中经历空气氧化成钴 (III)。此外，2A 与一个溶剂化的甲苯分子结晶。用循环伏安法和方波伏安法在二氯甲烷中研究了配合物的氧化还原行为；结果揭示了一种以金属为中心的氧化还原过程，该过程由分配给 Co(III)/Co(IV) 氧化和相应的 Co(IV)/Co(III)
• Metal Complexes of Phenylpiperazine‐Based Dithiocarbamate Ligands. Synthesis, Characterization, Spectroscopic, Thermal, and Antimicrobial Activity Studies
  作者：Veysel T. Yilmaz、Turan K. Yazıcılar、Hasan Cesur、Resit Ozkanca、Fatma Z. Maras

  DOI：10.1081/sim-120020326

  日期：2003.1.6

  Potassium salts of phenylpiperazine (Phpzdtc), fluorophenylpiperazine (F-Phpzdtc) and nitrophenylpiperazine (N-Phpzdtc) dithiocarbamates and their manganese(II), iron(II), cobalt(II), nickel(II), copper(II) and zinc(II) complexes have been synthesized and characterized by elemental analyses, IR, UV-VIS, magnetic moment measurements and thermal analysis techniques. On the basis of experimental data, the dithiocarbamates (dtcs) have been observed to coordinate to the metal ions via both sulphur atoms of the -NCS2 group forming metal complexes with a metal to ligand ratio of 1:2. The thermal reactivity and antimicrobial activity of the ligands and their metal complexes were also studied. The decomposition of the metal complexes resulted in the formation of the corresponding metal thiocyanates or cyanates as stable intermediates. Phpzdtc was found to be microbiologically more active than its nitro and fluoro derivatives and biological activity of the dtc ligands either remained unaltered or decreased on complexation with metal ions.