[(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)] | 537695-36-6

• 英文名称: [(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)]
• 英文别名: [Ru(η6-fluorobenzene)(η4-cycloocta-1,5-diene)]
• CAS: 537695-36-6
• 化学式: C₁₄H₁₇FRu
• 分子量: 305.357
• InChiKey: KPZYIMGPLKEJEE-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 、 [(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)] 以 正戊烷 为溶剂， 以54%的产率得到[Ru(η6-fluorobenzene)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：

  氟苯 、 (η6-naphthalene)(η4-1,5-cyclooctadiene)ruthenium(0) 以 四氢呋喃 、 乙腈 为溶剂， 以55%的产率得到[(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)]
  参考文献：
  名称：

  卤素原子作为将功能侧链引入（芳烃）钌（0）配合物的反应中心

  摘要：

  [(COD)(η6-萘)Ru] (2)（COD = 1,5-环辛二烯）的萘配体被合适的卤代芳烃（卤素 = F、Cl、Br、I）取代，得到了几种新的单卤代芳烃和二卤代芳烃(环辛二烯)钌配合物。根据卤素和有机基取代基的数量和位置，卤代芳烃形成非手性或平面手性 π-配体；[(η6-溴芳烃)(COD)Ru] 配合物在低温下易于与 nBuLi 进行快速溴/锂交换，而氯和氟衍生物在相同条件下会发生邻位金属化。锂化物质很容易与手性或非手性亲电试剂反应，例如氯代二有机磷烷、碳酰氯、醛、内酯、酮和环氧化物，生成侧链带有供体功能的取代 [(η6-芳烃)(COD)Ru] 配合物，无法通过其他路线。当非手性锂硫芳烃配合物与手性亲电试剂结合时，可以获得对映体纯复合物，但如果锂硫芳烃配体是平面手性物质，则会形成非对映异构体对。双核钌配合物 [1,1-双{(COD)(η6-苯基)Ru}-1,4-丁二醇] (28) 和 [1

  DOI：

  10.1002/ejic.200390038