[RuCl(η1-Ph2PCH2CH2OCH3)(η2-Ph2PCH2CH2OCH3)(1,2-phenylenediamine)](BF4) | 396130-78-2

• 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: [RuCl(η1-Ph2PCH2CH2OCH3)(η2-Ph2PCH2CH2OCH3)(1,2-phenylenediamine)](BF4)
• 英文别名: benzene-1,2-diamine;chlororuthenium(1+);2-methoxyethyl(diphenyl)phosphane;tetrafluoroborate
• CAS: 396130-78-2
• 化学式: BF₄*C₃₆H₄₂ClN₂O₂P₂Ru
• 分子量: 820.017
• InChiKey: QFQQJTZFQRMBIB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.37
• 重原子数：
  49
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  70.5
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [RuCl2(η1-Ph2PCH2CH2OCH3)2(1,2-phenylenediamine)] 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 生成 [RuCl(η1-Ph2PCH2CH2OCH3)(η2-Ph2PCH2CH2OCH3)(1,2-phenylenediamine)](BF4)
  参考文献：
  名称：

  Supported organometallic complexes part 39: cationic diamine(ether–phosphine)ruthenium(II) complexes as precursors for the hydrogenation of trans-4-phenyl-3-butene-2-one

  摘要：

  Treatment of RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) (1L(1)-1L(7)) with one equivalent of AgX (X = OTf, BF4) in CH2Cl2 results in the formation of the monocationic ruthenium(H) complexes [RuCl(eta(1)-Ph2PCH2CH2OCH3)(eta(2)-Ph2PCH2CH2OCH3)(diamine)]X-+(-) (2L(1)-2L(7)). These complexes were characterized by NMR, and mass spectroscopy as well as by elemental analyses, 2L(1) additionally by an X-ray structural analysis. Complex 2L(1) crystallizes in the monoclinic space group C2/c with Z = 8. The monocationic and neutral complexes were applied as catalysts in the selective hydrogenation of trans-4-phenyl-3-butene-2-one. With the exception of 1L(3)/1L(7) and 2L(3)/2L(7) all catalysts showed high activities and selectivities toward the hydrogenation of the carbonyl group under mild conditions. However, the activity of the cationic catalysts is only half of that of their neutral congeners. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.12.015

文献信息

• Structural Studies of an Array of Mixed Diamine Phosphine Ruthenium(II) Complexes¹
  作者：Christiane Nachtigal、Samer Al-Gharabli、Klaus Eichele、Ekkehard Lindner、Hermann A. Mayer

  DOI：10.1021/om0105831

  日期：2002.1.1

  Treatment of RuCl2(eta(2) -Ph2PCH2CH2OCH3)(2) with various chelating diamines permitted the isolation of the corresponding RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) complexes in high yield (diamine = 1,2-diaminoethane, 1,2-diaminopropane, 1,3-diaminopropane, 1,2-phenylenediamine, 1,8-diaminonaphthalene, 2,2'-bipyridine, 1,10-phenanthroline). In solution, all complexes prefer the trans-chloro cis-phosphine arrangement, as deduced by NMR spectroscopy. X-ray studies showed that in the solid state all three possible isomers of the octahedral RuCl2P2(diamine) complexes are present. The reaction of the RuCl2(eta(1)-Ph2PCH2CH2OCH3)(2)(diamine) complexes with 1 equiv of AgSbF6, AgBF4, or TIPF6 leads to the abstraction of one chloride by simultaneously coordinating one ether oxygen to ruthenium and forming monocationic [RuCl(eta(1)-Ph2PCH2CH2OCH3)(eta(2)-Ph2PCH2CH2OCH3)(diamine)](+) compounds. If a large excess of silver or thallium salt is used, the dichloro complexes are converted to the [Ru(eta(2)-Ph2PCH2CH2OCH3)(2)(diamine)](2+) dications. In the case of 1,2-phenylendiamine as coligand, the corresponding dication is only observed in traces. NMR spectroscopic investigations and X-ray structural analyses confirm the eta(1) and eta(2) coordination of the ether-phosphine ligands in the corresponding mono- and dicationic ruthenium(II) complexes.