[(η(6)-p-cymene)Ru(Ph2P(CH2)2PPh2)Cl]PF6 | 209854-70-6

• 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: [(η(6)-p-cymene)Ru(Ph2P(CH2)2PPh2)Cl]PF6
• 英文别名: [(η(6)-cymene)RuCl(dppe)]PF6；[RuCl(η2-dppe)(η6-p-cymene)]PF6；[(η(6).-cymene)RuCl(1,2-bis(diphenylphosphino)ethane]PF6；chlororuthenium(1+);2-diphenylphosphanylethyl(diphenyl)phosphane;1-methyl-4-propan-2-ylbenzene;hexafluorophosphate
• CAS: 209854-70-6
• 化学式: C₃₆H₃₈ClP₂Ru*F₆P
• 分子量: 814.132
• InChiKey: WPKIFFWQJBEUNI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.44
• 重原子数：
  47
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [RuCl(PPh3)(η1-dppe)(η6-p-cymene)]PF6 以 1,2-二氯乙烷 为溶剂， 生成 [(η(6)-p-cymene)Ru(Ph2P(CH2)2PPh2)Cl]PF6
  参考文献：
  名称：

  机理研究η的形成2 -Diphosphine（η 6 - p -cymene）合钌（II）的化合物

  摘要：

  悬垂的二膦（η的新范围6 - p -cymene）钌（II）配合物，将[RuCl（PPH 3）（η 1 - （P-P））（η 6 - p -cymene）] PF 6（P- p = DPPM，顺-PPh 2 CHCHPPh 2（dppv），DPPE，DPPP，DPPF），已经制备了由不稳定乙腈配体将[RuCl（CH取代3 CN）（PPH 3）（η 6 - p -cymene ）] PF 6。螯合络合物的形成，将[RuCl（η 2 - （P-P））（η 6 - p -cymene）] +从这些侧膦络合物，并从相关的中性配合物，将[RuCl 2（η 1 - （P-P））（η 6 - p -cymene）]（P-P = DPPM，dppv），已被研究，其中包括判定活化焓（Δ的ħ ⧧）和熵（Δ小号⧧）。提出了对于后者配合物的协同取代机理，其中甲醇通过与氯化物配体形成氢键在闭环过程中起重要作用。这项建议是由活化的体积（Δ支持V

  DOI：

  10.1021/om060752n

文献信息

• Synthesis and characterisation of [(η6-cymene)Ru(L)X2] compounds: single crystal X-ray structure of [(η6-cymene)Ru(P{OPh}3)Cl2] at 203 K
  作者：Emma Hodson、Stephen J. Simpson

  DOI：10.1016/j.poly.2004.06.016

  日期：2004.11

  Treatment of the chloro bridged dimer [(eta(6)-cymene)RuCl](2)(mu-Cl)(2)} (1) with the donor molecules P(OPh)(3), P(OMe)(3), PPh3, PMe3, CO, SMe2, (CNBu)-Bu-t and CNTos in hot hexane causes bridge splitting reactions that produce the monomeric compounds [(eta(6)-cymene)Ru(L)Cl-2], (4)-(11), respectively. Use of the chiral isonitrile S(-)-alpha-methylbenzylisonitrile produced the corresponding complex 12. The diiodo analogues, 13-15, were prepared similarly from [(eta(6)-cymene)RuI](2)(mu-I)(2)} (3) for P(OPh)(3), P(OMe)(3) and PPh3, respectively. Insertion of tin(II) chloride into both metal-chlorine bonds was observed for [(eta(6)-cymene)Ru(POMe}(3))Cl-2] (5), while only monosubstitution was observed for [(eta(6)-cymene)Ru(PPh3)Cl-2] (6). Halide abstraction in the presence of a substrate reaction has been used to prepare some selected cationic compounds which contain an asymmetric ligand environment. Reaction of [(eta(6)-cymene)RuCl](2)(mu-Cl)(2)} with 1,2-bis(diphenylphosphino)-ethane under ionising conditions produced the cation [(eta(6)-cymene)Ru(dppe)Cl]PF6 (20). Selected compounds have been examined by C-13-H-1} heteronuclear correlation and H-1-H-1} COSY and NOESY experiments. The structure of [(eta(6)-cymene)Ru(POPh}(3))Cl-2](CH2Cl2)-C-. (4) has been determined at -70degreesC. (C) 2004 Elsevier Ltd. All rights reserved.
• Facile preparation of η6-p-cymene ruthenium diphosphine complexes. Crystal structure of [(η6-p-cymene)Ru(dppf)Cl]PF6
  作者：Svend B Jensen、Susan J Rodger、Mark D Spicer

  DOI：10.1016/s0022-328x(97)00776-6

  日期：1998.4

  The clean, high yield synthesis of the complexes [(eta(6)-p-cymene)Ru(P-P)Cl]PF6 (P-P=diphosphine ligand) from [(eta(6)-p-cymene)RuCl2](2) via [(eta(6)-p-cymene)Ru(NCMe)(2)Cl]PF6 is reported for a series of 'normal' diphosphine ligands. The X-ray crystal structure of the 1,1'-bis(diphenylphosphino)ferrocene complex reveals the expected pianostool geometry, with the ligand cyclopentadienyl rings in the less usual eclipsed conformation. (C) 1998 Elsevier Science S.A. All rights reserved.