RuCl2(PPh3)2(pyrazole)(acetone) | 367493-96-7

• 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: RuCl2(PPh3)2(pyrazole)(acetone)
• 英文别名: dichlororuthenium;propan-2-one;1H-pyrazole;triphenylphosphane
• CAS: 367493-96-7
• 化学式: C₄₂H₄₀Cl₂N₂OP₂Ru
• 分子量: 822.716
• InChiKey: VGQPTLCNNOFDSD-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  吡唑 、 {RuBr2(triphenylphosphine)3} 、 丙酮 以 丙酮 为溶剂， 以65%的产率得到RuCl2(PPh3)2(pyrazole)(acetone)
  参考文献：
  名称：

  SYNTHESIS AND CHARACTERIZATION OF RUTHENIUM(II) PYRAZOLE TERTIARY PHOSPHINE COMPLEXES

  摘要：

  The product of the reaction of [RuCl2(PPh3)(3)] with two equivalents of pyrazole (Hpz) in toluene, when precipitated from a toluene/hexane mixture was characterised as [RuCl2(Hpz)(2)(PPh3)(2)] . 1/2C(6)H(14) (1); the same reaction, effected in acetone, produced the acetone coordinated species [RuCl2(Hpz)(Me2CO)(PPh3)(2)] (2). When the reaction was carried out using 3,5-dimethylpyrazole (HDMpz), in either acetone or toluene as solvent, the yellow five-coordinate complex [RUCl2(HDMpz)(PPh3)(2)] (3) was produced. The bromo compounds [RuBr2(Hpz)(2)(PPh3)(2)] . 1/2C(6)H(14) (4) and [RuBr2(HDMpz)(PPh3)(2)] (5) have also been prepared using [RuBr2(PPh3)(3)] as precursor. Attempts to make the iodo analogues from [RuI2(PPh3)(2)](n), resulted in a species identified as [RuI2(HDMpz)(PPh3)(2)] on the basis of NMR and infrared measurements. The novel derivatives (1)-(5) have been characterised using microanalyses and infrared, H-1 and P-31 NMR spectroscopy.Reaction of (1) with CO resulted in displacement of Hpz to eventually produce cis-[RuCl2(CO)(2)(PPh3)(2)]. The reaction appeared to proceed through the a monosubstituted product [RuCl2(CO)(Hpz)(PPh3)(2)], distinguished from spectroscopic measurements. The reaction of (1) with oxygen is discussed.

  DOI：

  10.1081/sim-100104791