Ethyl 2-[methyl(methylsulfanylcarbothioyl)amino]acetate | 166759-96-2

• 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: Ethyl 2-[methyl(methylsulfanylcarbothioyl)amino]acetate
• CAS: 166759-96-2
• 化学式: C₇H₁₃NO₂S₂
• 分子量: 207.318
• InChiKey: KVQOPUYJUCLWRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  86.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[methyl(methylsulfanylcarbothioyl)amino]acetate 、 [PdCl(sarcosine ethyl ether dithiocarbamate)] 以 二氯甲烷 为溶剂， 生成 chloropalladium(1+);N-(2-ethoxy-2-oxoethyl)-N-methylcarbamodithioate;ethyl 2-[methyl(methylsulfanylcarbothioyl)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

文献信息

• Functionalized dithioester and dithiocarbamato complexes of platinum(II) halides
  作者：Dolores Fregona、Simone Tenconi、Giuseppina Faraglia、Sergio Sitran

  DOI：10.1016/s0277-5387(97)00140-x

  日期：1997.8

  Platinum dihalides react with the dithioester EtO2CCH2(CH3)NCS2Me (ESDTM) yielding the complexes Pt(ESDTM)X-2 and trans-Pt(ESDTM)(2)X-2 (X = Cl or Br). In the 1:2 adducts the ligand acts as monodentate through the thiocarbonyl sulfur, whereas it is S,S chelated in the Pt(ESDTM)X-2 species. These complexes release easily methyl halide either in solid or in solution to form species containing the related dithiocarbamato moiety (ESDT, EtO2CCH2(CH3)NCS2-). The first decomposition step in thermal degradation of the Pt(ESDTM)X-2 complexes involves evolution of one methyl halide molecule to form the related [Pt(ESDT)X](n) intermediate and leading finally to platinum metal. In the same conditions the trans-Pt(ESDTM)(2)X-2 complexes undergo demethylation of both ligand molecules, the Pt(ESDT)(2) intermediate being stable up to 250 degrees C. The dithioester adducts and the related degradation intermediates have been characterized by elemental analyses and IR and H-1 NMR spectroscopy. The complex behaviour in Various solvents has been described by proton NMR data. (C) 1997 Elsevier Science Ltd.
• Decomposition intermediates in palladium-dithioester systems
  作者：Giuseppina Faraglia、Daniela Longo、Valeria Cherchi、Sergio Sitran

  DOI：10.1016/0277-5387(94)00459-r

  日期：1995.7

  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.