[PdCl(1-pyrrolidinecarbodithioato)] | 849909-58-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: [PdCl(1-pyrrolidinecarbodithioato)]
• 英文别名: [PdCl(pyrrolidine dithiocarbamate)]；[PdCl(PyDT)]
• CAS: 849909-58-6
• 化学式: C₅H₈NS₂*Cl*Pd
• 分子量: 288.13
• InChiKey: PMECPHXFUCSCFO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.08
• 重原子数：
  10.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  3.24
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [PdCl(1-pyrrolidinecarbodithioato)] 、 四甲基氯化铵 以 乙醇 为溶剂， 以83%的产率得到NMe4[PdCl2(1-pyrrolidinecarbodithioato)]
  参考文献：
  名称：

  Pyrrolidine dithiocarbamates of Pd(II)

  摘要：

  The dithioester (CH2)(4)NCS2CH3 (PyDTM, 1-pyrrolidinecarbodithioate methyl ester) has been prepared by reaction of the parent ammonium salt NH4PyDT (PyDT = (CH2)(4)NCS2-) with methyl iodide in water/ethanol. The reaction of PyDTM with PdCl2 allowed to synthesize either [PdCl2(PyDTM)], in which the ligand is chelated by both sulfur atoms, or [PdCl2(PyDTM)(2)], in which the ligand acts as monodentate through the thiocarbonyl sulfur. Thermal degradation of [PdCl2(PyDTM)] yielded the [PdCl(PyDT)](n) species as an intermediate, which, in the presence of donors as chloride ions or dimethyl sulfoxide (DMSO), gave the complexes [PdCl(PyDT)(DMSO)] and NR4[PdCl2(PyDT)]. Moreover, PyDTM was found to react with various [PdCl(dithiocarbamato)], intermediates to form the mixed species [PdCl(dithiocarbamato)(PyDTM)], whose thermal degradation yielded the [Pd(dithiocarbamato)(PyDT)] complexes. The behaviour of the prepared compounds in either solution or solid phase has been described on the basis of IR and proton NMR spectra and thermogravimetric analysis (TG and DTA). (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.063
• 作为产物：
  描述：

  [PdCl2(1-pyrrolidinecarbodithioate methyl ester)] 以 neat (no solvent) 为溶剂， 生成 [PdCl(1-pyrrolidinecarbodithioato)]
  参考文献：
  名称：

  Pyrrolidine dithiocarbamates of Pd(II)

  摘要：

  The dithioester (CH2)(4)NCS2CH3 (PyDTM, 1-pyrrolidinecarbodithioate methyl ester) has been prepared by reaction of the parent ammonium salt NH4PyDT (PyDT = (CH2)(4)NCS2-) with methyl iodide in water/ethanol. The reaction of PyDTM with PdCl2 allowed to synthesize either [PdCl2(PyDTM)], in which the ligand is chelated by both sulfur atoms, or [PdCl2(PyDTM)(2)], in which the ligand acts as monodentate through the thiocarbonyl sulfur. Thermal degradation of [PdCl2(PyDTM)] yielded the [PdCl(PyDT)](n) species as an intermediate, which, in the presence of donors as chloride ions or dimethyl sulfoxide (DMSO), gave the complexes [PdCl(PyDT)(DMSO)] and NR4[PdCl2(PyDT)]. Moreover, PyDTM was found to react with various [PdCl(dithiocarbamato)], intermediates to form the mixed species [PdCl(dithiocarbamato)(PyDTM)], whose thermal degradation yielded the [Pd(dithiocarbamato)(PyDT)] complexes. The behaviour of the prepared compounds in either solution or solid phase has been described on the basis of IR and proton NMR spectra and thermogravimetric analysis (TG and DTA). (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.063

文献信息

• Synthesis, characterization and cytotoxic activity of palladium (II) dithiocarbamate complexes with α,ω-diamines
  作者：Diego Montagner、Cristina Marzano、Valentina Gandin

  DOI：10.1016/j.ica.2011.07.031

  日期：2011.10

  The polymeric [PdCl(dithiocarbamate)](n) complexes, in which the ligand ion is dimethyldithiocarbamate (DMDT), pyrrolidine dithiocarbamate (PyDT, (CH2)(4)NCS2-) and sarcosine ethyl ester dithiocarbamate (ESDT, EtO2CCH2N(CH3)CS2-), have been reacted with chelating diamines, like ethylenediamine (en) or 1,3-diaminopropane (dap) and long chain diamines, like 1,4-diaminobutane (dab) or 1,7-diaminoheptane (dah). The reaction products depend on either diamine chain length or molar ratio. By operating at PdCl(dithiocarbamate)/diamine molar ratio 1:1 chelating diamines yielded the ionic [Pd(dithiocarbamate)(diamine)]Cl species (diamine = en or dap), whereas with long chain diamines species of the type [Pd(dithiocarbamate)(diamine)](n)Cl-n (diamine = dab or dah) were obtained, in which each Pd(dithiocarbamate)(+) unit binds to the NH2 group of two different molecules, in a network of bridging diamines. At molar ratio 1:0.5, the long chain diamines yielded the binuclear [Pd2Cl2(dithiocarbamate)(2)(diamine)] complexes (diamine = dab or dah), whereas exchange reactions take place generally in the presence of en or dap. The reaction trend is described on the basis of IR and proton NMR spectra. The new dithiocarbamate complexes were preliminarily tested for their cytotoxicity on human cancer cells. (C) 2011 Elsevier B.V. All rights reserved.