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

中文名称
——
中文别名
——
英文名称
[(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)]
英文别名
[Ru(η6-fluorobenzene)(η4-cycloocta-1,5-diene)]
[(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)]化学式
CAS
537695-36-6
化学式
C14H17FRu
mdl
——
分子量
305.357
InChiKey
KPZYIMGPLKEJEE-GCOBPYNFSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    None
  • 重原子数:
    None
  • 可旋转键数:
    None
  • 环数:
    None
  • sp3杂化的碳原子比例:
    None
  • 拓扑面积:
    None
  • 氢给体数:
    None
  • 氢受体数:
    None

反应信息

  • 作为反应物:
    描述:
    盐酸[(1,5-cyclooctadiene)(η6-fluorobenzene)ruthenium(0)]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)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
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