[PdCl(sarcosine ethyl ether dithiocarbamate)] | 155730-95-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [PdCl(sarcosine ethyl ether dithiocarbamate)]
• 英文别名: [PdCl(ESDT)]；chloropalladium(1+);N-(2-ethoxy-2-oxoethyl)-N-methylcarbamodithioate
• CAS: 155730-95-3
• 化学式: C₆H₁₀NO₂S₂*Cl*Pd
• 分子量: 334.156
• InChiKey: XKMOVBDFTQAWGE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.69
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [PdCl(sarcosine ethyl ether dithiocarbamate)] 、 O-Ethyl-N-methyl-N-carboxymethyl-dithiocarbamidsaeure-ethylester 以 氘代氯仿 为溶剂， 生成 chloropalladium(1+);N-(2-ethoxy-2-oxoethyl)-N-methylcarbamodithioate;ethyl 2-[ethylsulfanylcarbothioyl(methyl)amino]acetate
  参考文献：
  名称：

  Decomposition intermediates in palladium-dithioester systems

  摘要：

  Palladium dihalides react with the ligands EtO(2)CCH(2)(CH3)NCS(3)R (R = Me, ESDTM; R = Et, ESDTE) in non-polar solvents yielding the trans-[Pd(ESDTR)(2)X(2)] (X = Cl, Br or I) complexes in which the dithioester molecule coordinates through thiocarbonyl sulphur. Thermal degradation of these complexes has been investigated up to 1000 degrees C. The first decomposition step involves evolution of one alkyl halide molecule to form the [Pd(ESDT)(ESDTR)X] (X = Cl or Br) intermediates. At higher temperature S-dealkylation of the neutral ligand takes place with consequent formation of [Pd(ESDT)(2)] as a second intermediate. The mixed species [Pd(ESDT) (ESDTR)X] have been also prepared by reaction of [Pd(ESDT)X], with the appropriate dithioester, as for the [Pd(ESDT)(DMDTM)X] (X = Cl or Br; DMDTM = MeS(2)CNMe(2)) analogues. The complexes have been characterized by elemental analyses and IR and H-1 NMR spectroscopy. The behaviour of the 1.2 adducts and of the related mixed species in solution is described on the basis of proton NMR spectra.

  DOI：

  10.1016/0277-5387(94)00459-r
• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 [PdCl(sarcosine ethyl ether dithiocarbamate)]
  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.