[Ru(η6-trifluoromethylbenzene)(η4-cycloocta-1,5-diene)] | 1186424-57-6

• 英文名称: [Ru(η6-trifluoromethylbenzene)(η4-cycloocta-1,5-diene)]
• CAS: 1186424-57-6
• 化学式: C₁₅H₁₇F₃Ru
• 分子量: 355.365
• InChiKey: ANDYAWZMHSNXPN-GCOBPYNFSA-N

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：

  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
• 作为产物：
  描述：

  (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0) 、 三氟甲苯 以 四氢呋喃 为溶剂， 以82%的产率得到[Ru(η6-trifluoromethylbenzene)(η4-cycloocta-1,5-diene)]
  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