[Ru(η6-trifluoromethylbenzene)Cl2]2 | 1186424-61-2

• 英文名称: [Ru(η6-trifluoromethylbenzene)Cl2]2
• 英文别名: [(η6-C6H5CF3)RuCl2]2
• CAS: 1186424-61-2
• 化学式: C₁₄H₁₀Cl₄F₆Ru₂
• 分子量: 636.176
• InChiKey: BODQHEAQINPLRZ-UHFFFAOYSA-J

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：

  [Ru(η6-trifluoromethylbenzene)Cl2]2 、 1,3,5-三氮杂-7-磷杂金刚烷 以 二氯甲烷 为溶剂， 以92%的产率得到[Ru(η6-trifluoromethylbenzene)Cl2(1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane)]
  参考文献：
  名称：

  Tuning the Efficacy of Ruthenium(II)-Arene (RAPTA) Antitumor Compounds with Fluorinated Arene Ligands

  摘要：

  A series of compounds of general formula [Ru(eta(6)-fluoroarene)(pta)Cl-2] (fluoroarene = C6H5F, C6H5CF3, and 1,4-C6H4CH3F; pta = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane) have been prepared and characterized spectroscopically. Additionally, X-ray diffraction was employed to characterize two of the complexes and the corresponding precursors, i.e., [Ru(acac)(2)(eta(4)-cod)] and Ru(eta(6)-fluoroarene)(eta(4)-cod)] (cod = cycloocta-1,5-diene). The solubility, pK(a)'s, and the stability toward hydrolysis of the [Ru(eta(6)-fluoroarene)(pta)Cl-2] complexes were studied, and DFT calculations were performed to assist in rationalizing the observed properties at a molecular level. The cytotoxicities of the pta-based Compounds were evaluated in A2780 ovarian cancer cells, and the observed activities were correlated to the above-mentioned properties. The rate of hydrolysis of the Ru-Cl bonds in the C6H5CF3 derivative was found to increase significantly at low pH, which represents a possible method of tumor targeting based on the reduced pH of this particular cellular environment.

  DOI：

  10.1021/om900345n
• 作为产物：
  描述：

  盐酸 、 [Ru(η6-trifluoromethylbenzene)(η4-cycloocta-1,5-diene)] 以 正戊烷 为溶剂， 以74.6%的产率得到[Ru(η6-trifluoromethylbenzene)Cl2]2
  参考文献：
  名称：

  Tuning the Efficacy of Ruthenium(II)-Arene (RAPTA) Antitumor Compounds with Fluorinated Arene Ligands

  摘要：

  A series of compounds of general formula [Ru(eta(6)-fluoroarene)(pta)Cl-2] (fluoroarene = C6H5F, C6H5CF3, and 1,4-C6H4CH3F; pta = 1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane) have been prepared and characterized spectroscopically. Additionally, X-ray diffraction was employed to characterize two of the complexes and the corresponding precursors, i.e., [Ru(acac)(2)(eta(4)-cod)] and Ru(eta(6)-fluoroarene)(eta(4)-cod)] (cod = cycloocta-1,5-diene). The solubility, pK(a)'s, and the stability toward hydrolysis of the [Ru(eta(6)-fluoroarene)(pta)Cl-2] complexes were studied, and DFT calculations were performed to assist in rationalizing the observed properties at a molecular level. The cytotoxicities of the pta-based Compounds were evaluated in A2780 ovarian cancer cells, and the observed activities were correlated to the above-mentioned properties. The rate of hydrolysis of the Ru-Cl bonds in the C6H5CF3 derivative was found to increase significantly at low pH, which represents a possible method of tumor targeting based on the reduced pH of this particular cellular environment.

  DOI：

  10.1021/om900345n

文献信息

• Rational Design of Highly Cytotoxic η⁶-Arene β-Diketiminato−Ruthenium Complexes
  作者：Andrew D. Phillips、Olivier Zava、Rosario Scopelitti、Alexey A. Nazarov、Paul J. Dyson

  DOI：10.1021/om900991b

  日期：2010.1.25

  A series of ruthenium-benzene complexes with beta-diketiminate ligands modified with electron-withdrawing groups were prepared and characterized by NMR spectroscopy, Mass spectrometry, and single-crystal X-ray diffraction. The complexes are stable in air and Undergo controlled hydrolysis in water. The complexes were evaluated for anticancer activity in vitro, and two of them proved to be highly cytotoxic, comparable or even superior to cisplatin. This work shows the potential utility of the beta-diketiminate ligand in the rational design of new anticancer metal-containing drugs. A related complex with a eta(6)-C6H5CF3 ligand was prepared and found to undergo a nucleophilic addition reaction at the coordinated arene ring to afford a Substituted eta(5)-cyclohexadienyl derivative.