[Pd(κ²,C,N)[1-{MeO-(CH₂)₂}-3-(C₆H₄),5-Ph-(C₃HN₂)](μ-OAc)]₂ | 1616859-10-9

• 英文名称: [Pd(κ²,C,N)[1-{MeO-(CH₂)₂}-3-(C₆H₄),5-Ph-(C₃HN₂)](μ-OAc)]₂
• CAS: 1616859-10-9
• 化学式: C₄₀H₄₀N₄O₆Pd₂
• 分子量: 885.621
• InChiKey: RFUNZNFWXURDNJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [Pd(κ²,C,N)[1-{MeO-(CH₂)₂}-3-(C₆H₄),5-Ph-(C₃HN₂)](μ-OAc)]₂ 、 三苯基膦 以 二氯甲烷 为溶剂， 反应 0.33h， 以70%的产率得到Pd(κ²,C,N)[1-{MeO-(CH₂)₂}-3-(C₆H₄),5-Ph-(C₃HN₂)](OAc)(PPh₃)
  参考文献：
  名称：

  Pd(II) complexes with N-substituted pyrazoles as ligands. The influence of the R group [OMe versus NMe2] of [1-{R–(CH2)2–}-3,5-Ph2–(C3HN2)] on their cytotoxic activity on breast cancer cell lines

  摘要：

  The study of the reactivity of the novel pyrazole derivative [1-{MeOe(CH2)(2)-}-3,5-PH2-(C3HN2)] (1) with Na-2[PdCl4] or Pd(OAc)(2) under different experimental conditions has allowed us to isolate and characterize the trans-isomers of [Pd{[1-{MeOe(CH2)(2)-}-3,5-PH2-(C3HN2)]}(2)(X)(2)] [X = Cl (2) or OAc (3)] and the di-m-ligand bridged cyclopalladated complexes [Pd{kappa(2),C,N[1-{MeOe(CH2)(2)-}-3-(C6H4), 5-Ph-(C3HN2)]}(mu-X)](2) [X = OAc (4) or Cl (5)]. Further treatment of compounds 4 or 5 with PPh3 in CH2Cl2 produced the bridge splitting and the formation of [Pd{kappa(2),C,N[1-{MeOe(CH2)(2)-}-3-(C6H4), 5-Ph-(C3HN2)]}X(PPh3)] [X = OAc (6) or Cl (7)]. The cytotoxic assessment of the free ligand (1) and the Pd(II) complexes on the two breast cancer cell lines MCF7 and MDA-MB231 reveals that: a) compound 1 is less active than its analogue [1-{Me2N-(CH2)(2)-}-3,5-Ph(2)e(C3HN2)] (Ic) and b) palladacycles 4-7 showed a remarkable cytotoxic activity in the MDA-MB231 cell line (with IC50 values in the range 9.1-14.4 mu M). (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.034
• 作为产物：
  描述：

  1-(2-Methoxyethyl)-3,5-diphenylpyrazole 、 palladium diacetate 以 甲苯 为溶剂， 反应 12.0h， 以11 mg的产率得到trans-[Pd[1-{MeO-(CH₂)₂-}-3,5-Ph₂-(C₃HN₂)]₂(OAc)₂]
  参考文献：
  名称：

  Pd(II) complexes with N-substituted pyrazoles as ligands. The influence of the R group [OMe versus NMe2] of [1-{R–(CH2)2–}-3,5-Ph2–(C3HN2)] on their cytotoxic activity on breast cancer cell lines

  摘要：

  The study of the reactivity of the novel pyrazole derivative [1-{MeOe(CH2)(2)-}-3,5-PH2-(C3HN2)] (1) with Na-2[PdCl4] or Pd(OAc)(2) under different experimental conditions has allowed us to isolate and characterize the trans-isomers of [Pd{[1-{MeOe(CH2)(2)-}-3,5-PH2-(C3HN2)]}(2)(X)(2)] [X = Cl (2) or OAc (3)] and the di-m-ligand bridged cyclopalladated complexes [Pd{kappa(2),C,N[1-{MeOe(CH2)(2)-}-3-(C6H4), 5-Ph-(C3HN2)]}(mu-X)](2) [X = OAc (4) or Cl (5)]. Further treatment of compounds 4 or 5 with PPh3 in CH2Cl2 produced the bridge splitting and the formation of [Pd{kappa(2),C,N[1-{MeOe(CH2)(2)-}-3-(C6H4), 5-Ph-(C3HN2)]}X(PPh3)] [X = OAc (6) or Cl (7)]. The cytotoxic assessment of the free ligand (1) and the Pd(II) complexes on the two breast cancer cell lines MCF7 and MDA-MB231 reveals that: a) compound 1 is less active than its analogue [1-{Me2N-(CH2)(2)-}-3,5-Ph(2)e(C3HN2)] (Ic) and b) palladacycles 4-7 showed a remarkable cytotoxic activity in the MDA-MB231 cell line (with IC50 values in the range 9.1-14.4 mu M). (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.034