[(η⁵-C₅H₅)Ru(P(p-ClPh)₃)₂Cl] | 172220-61-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(η⁵-C₅H₅)Ru(P(p-ClPh)₃)₂Cl]
• 英文别名: (η(5)-C5H5)RuCl(P(p-ClC6H4)3)2；chlororuthenium(1+);cyclopenta-1,3-diene;tris(4-chlorophenyl)phosphane
• CAS: 172220-61-0
• 化学式: C₄₁H₂₉Cl₇P₂Ru
• 分子量: 932.87
• InChiKey: ILXXYXGIBNLOLO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  (cyclooctadienyl)(cyclopentadienyl)ruthenium chloride 、 三(4-氯苯基)膦 以 四氢呋喃 为溶剂， 以77%的产率得到[(η⁵-C₅H₅)Ru(P(p-ClPh)₃)₂Cl]
  参考文献：
  名称：

  Enthalpies of Reaction of Cp'Ru(COD)Cl (Cp' = C5H5, C5Me5; COD = Cyclooctadiene) with P(p-XC6H4)3 (X = Cl, F, H, CH3, CF3, OCH3) Ligands: Ligand Steric vs Electronic Contributions to the Enthalpy of Reaction

  摘要：

  The enthalpies of reaction of Cp'Ru(COD)Cl (1; Cp' = eta(5)-C5H5, eta(5)-C(5)Me(5); COD cyclooctadiene) with a series of para-substituted monodentate tertiary phosphine ligands, leading to the formation of Cp'Ru(PR(3))(2)Cl, have been measured by anaerobic solution calorimetry in THF at 30.0 degrees C. These reactions are rapid and quantitative. Structural studies have been carried out on three complexes in this series. The relative importance of phosphine steric vs electronic ligand parameters is more closely examined in terms of the presented quantitative thermochemical and structural information. Comparisons with enthalpy data in this and related organometallic systems are also presented.

  DOI：

  10.1021/om00011a053

文献信息

• Cyclopentadienyl–Ruthenium(II) and Iron(II) Organometallic Compounds with Carbohydrate Derivative Ligands as Good Colorectal Anticancer Agents
  作者：Pedro R. Florindo、Diane M. Pereira、Pedro M. Borralho、Cecília M. P. Rodrigues、M. F. M. Piedade、Ana C. Fernandes

  DOI：10.1021/acs.jmedchem.5b00403

  日期：2015.5.28

  ruthenium(II) and iron(II) organometallic compounds of general formula [(η5-C5H5)M(PP)Lc][PF6], bearing carbohydrate derivative ligands (Lc), were prepared and fully characterized and the crystal structures of five of those compounds were determined by X-ray diffraction studies. Cell viability of colon cancer HCT116 cell line was determined for a total of 23 organometallic compounds and SAR’s data analysis

  新钌（II）和铁（II）通式[（η的有机金属化合物5 -C 5 H ^ 5）M（PP）LC ] [PF 6 ]，轴承碳水化合物衍生物配位体（LC），制备并充分表征和通过X射线衍射研究确定了其中5种化合物的晶体结构。确定了总共23种有机金属化合物对结肠癌HCT116细胞系的细胞生存力，并且该库中的SAR数据分析表明，细胞毒性活性对碳水化合物部分，接头，膦大分子和金属中心具有有趣的依赖性。更重要的是，两种化合物14Ru和18Ru与奥沙利铂IC相匹配CC化疗中使用的标准金属药物50（0.45μM）和我们的领先化合物14Ru对HCT116细胞的细胞毒性比奥沙利铂明显更高，从而触发caspase-3和-7活性水平升高，并呈剂量依赖性方式。