bis(N-ethyl-N'-hydroxyethyl dithiocarbamato)nickel(II) | 850588-77-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: bis(N-ethyl-N'-hydroxyethyl dithiocarbamato)nickel(II)
• CAS: 850588-77-1
• 化学式: C₁₀H₂₀N₂NiO₂S₄
• 分子量: 387.235
• InChiKey: QRONVOKEHWSSPY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.26
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.94
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  bis(N-ethyl-N'-hydroxyethyl dithiocarbamato)nickel(II) 在 air 作用下， 以 neat (no solvent) 为溶剂， 生成 nickel(II) oxide
  参考文献：
  名称：

  Signal, S.; Garg, A. N.; Chandra, K., Journal of Thermal Analysis and Calorimetry, 2004, vol. 78, p. 941 - 952

  摘要：

  DOI：
• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 N-ethyl N-hydroxyethyl dithiocarbamate, sodium salt 以 甲醇 为溶剂， 反应 24.0h， 以88%的产率得到bis(N-ethyl-N'-hydroxyethyl dithiocarbamato)nickel(II)
  参考文献：
  名称：

  N-(R)ethanolamine dithiocarbamate ligands and their Ni(II) and Pt(II) complexes. Evaluation of the in vitro anticancer activity of the Pt(II) derivatives

  摘要：

  A series of Ni(II) and Pt(II) complexes with DTC ligands including a hydrophilic ethanol moiety [N-(R) ethanolamine (R = Me(1), Et(2), iPr(3), Bn (4))] have been prepared and fully characterized. The antitumor activity of the Pt(II) derivatives has been evaluated against different cancer cell lines, showing complex 4-Pt (including N-(benzyl)ethanolamine DTC ligand DTC-4) to be the most active of the series, exhibiting 100% inhibition on glial cells of nervous central system (U251), leukaemia (K562), colon (HCT-15), breast (MCF-7) and lung (SKLU-1). Finally, the Ni(II) derivatives were explored as catalyst in Suzuki-Miyaura couplings, however only decomposition of the complexes was observed with null conversions to biphenyls. (C) 2017 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2017.07.035