[RuCl(p-cymene)(PPh2(CH2-2-pyridyl))]BF4 | 214901-18-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [RuCl(p-cymene)(PPh2(CH2-2-pyridyl))]BF4
• 英文别名: chlororuthenium(1+);diphenyl(pyridin-2-ylmethyl)phosphane;1-methyl-4-propan-2-ylbenzene;tetrafluoroborate
• CAS: 214901-18-5
• 化学式: BF₄*C₂₈H₃₀ClNPRu
• 分子量: 634.854
• InChiKey: JOECVXDTCHFSNW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.82
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氟硼酸钠 、 RuCl2(p-cymene)(PPh2(CH2-2-pyridyl)) 以 甲醇 、 二氯甲烷 为溶剂， 以70%的产率得到[RuCl(p-cymene)(PPh2(CH2-2-pyridyl))]BF4
  参考文献：
  名称：

  Ruthenium(II) complexes containing both arene and functionalized phosphines. Synthesis and catalytic activity for the hydrogenation of styrene and phenylacetylene

  摘要：

  The [RuCl2(eta(6)-arene)](2) complex reacts with PPh2R (R = H, Py, CH2Py, C=CPh, C=C'Bu and C=Cp-Tol) ligands in CH2Cl2 to give neutral P-coordinated ruthenium(II) complexes [RuCl2(p-cymene)PPh2R]. The structure of [RuCl2(p-cymene)PPh2H] and [RuCl2(p-cymene)PPh2Py] complexes has been established by X-ray diffraction. The neutral P-coordinated complexes [RuCl2(p-cymene)PPh2Py] and [RuCl2(p-cymene)PPh2CH2Py] react with NaBF4 in CH2Cl2-MeOH mixture to give [RuCl(eta(6)-p-cymene)PPh2Py]BF4 and [RuCl(eta(6)-p-cymene)PPh2CH2Py]BF4 complexes, in which PPh2Py and PPh2CH2Py act as bidentate ligands. The structure of [RuCl(eta(6)-p-cymene)PPh2Py]BF4 was determined by X-ray diffraction. The reaction of [RuCl2(eta(6)-arene)](2) with PPh2C=CPPh2 led to the [RuCl2(p-cymene)](2)PPh2C=CPPh2 complex, in which the diphosphine ligand bridges two [RuCl2(p-cymene)] units. [RuCl2(p-cymene)PPh2Py] and [RuCl(eta(6)-p-cymene)PPh2Py]BF4 are suitable catalyst precursors for the hydrogenation of styrene and phenylacetylene. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00647-0