palladium(II) (2-ethoxy-2-oxoethyl)(methyl)carbamodithioate bromide | 155730-96-4

• 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: palladium(II) (2-ethoxy-2-oxoethyl)(methyl)carbamodithioate bromide
• CAS: 155730-96-4
• 化学式: Br*C₆H₁₀NO₂S₂*Pd
• 分子量: 378.607
• InChiKey: OTVVBBZIXVIANH-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：

  palladium(II) (2-ethoxy-2-oxoethyl)(methyl)carbamodithioate bromide 、 O-Ethyl-N-methyl-N-carboxymethyl-dithiocarbamidsaeure-ethylester 以 氘代氯仿 为溶剂， 生成 bromopalladium(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