| 169829-68-9

• CAS: 169829-68-9
• 化学式: C₂₈H₃₅Cl₂PRu
• 分子量: 574.536
• InChiKey: NVEAIAJKXNTMOU-UHFFFAOYSA-L

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：
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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：

  [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 二苯基环己基膦 以 二氯甲烷 为溶剂， 以63%的产率得到
  参考文献：
  名称：

  Enthalpies of Reaction of ((p-cymene)RuCl2)2 with Monodentate Tertiary Phosphine Ligands. Importance of Both Steric and Electronic Ligand Factors in a Ruthenium(II) System

  摘要：

  The enthalpies of reaction of ((p-cymene)RuCl2)(2) (p-cymene = (CH3)(2)CH(C)6H(4)CH(3)) with a series of tertiary phosphine ligands, leading to the formation of (p-cymene)RuCl2(PR(3)) complexes (PR(3) = tertiary phosphine) have been measured by solution calorimetry in CH2-Cl-2 at 30 degrees C. The range of reaction enthalpies spans some 22 kcal/mol. The overall relative order of stability established is as follows (PR(3);-Delta H, kcal/mol): P(p-CF3C6H4)(3) < PCy(3) < PCy(2)Ph < P(p-ClC6H4)(3) < P(OPh)(3) < (PPr3)-Pr-i < PPh(3) < P(P-FC6H4)(3) < P(P-CH3C6H4)(3) < PCyPh(2) < P(P-CH3OC6H4)(3) < P(i)Bu(3) < PBz(3) < PPh(2)Et < PPh(2)Me < P(OMe)(3) < PEt(3) < PPhMe(2) < PMe(3). A quantitative analysis of ligand effect of the present data helps clarify the exact steric versus electronic ligand contributions to the enthalpy of reaction in this system. Both steric and electronic factors appear to play an important role in dictating the magnitude of the enthalpy of reaction.

  DOI：

  10.1021/om00010a027