| 155829-04-2

• CAS: 155829-04-2
• 化学式: C₄₂H₃₄FeO₃P₂Ru
• 分子量: 805.595
• InChiKey: DCZJEVPFOOPGPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  以 四氢呋喃 为溶剂， 以26%的产率得到
  参考文献：
  名称：

  Heteronuclear Iron-Ruthenium Complexes Containing Bridging Allenyl and Allenylcarbonyl Ligands

  摘要：

  Reactions Of CP(CO)2RuCH2C=CPh (1) with Fe2(CO)9 yield one or more of the products (CO)3Fe(mu-eta3:eta2-C(O)C(Ph)=C=CH2)RU(CO)Cp (2), (CO)3Fe(mu-CO)RuCP(mu2-CO)Fe(CO)3(mu3-eta1-CCH=CHPh) (3), (CO)3FeRu(CO)CpFe(CO)3(mu3-eta1:eta1:eta3-CCHCHPh) (4), (CO)3FeFe-(CO)3Ru(CO)CP(mu3-eta1:eta2:eta2-C(Ph)=C=CH2) (5), and (CO)3FeFe(CO)3Ru(CO)CP(mu3-eta1:eta2:eta2-CH=C=CHPh) (6), depending on solvent, relative amounts of the reactants, and reaction time and temperature. The novel binuclear metal mu-allenylcarbonyl complex 2 is best prepared in THF at 0-degrees-C, whereas the 'capped' trinuclear metal clusters 3 and 4 are obtained, along with 2, in diethyl ether at reflux. The trinuclear metal mu3-eta1:eta2:eta2-allenyl products 5 and 6 result from the reaction of 1 with a large excess of Fe2(CO)9 in hexane at reflux. In the formation of 3, 4, and 6, a methylene hydrogen shift occurs within the C3H2Ph ligand. Reaction of 1 with Ru3(CO)12 in hexane at reflux affords (CO)3RuRu(CO)3Ru(CO)Cp(mu3-eta1:eta2:eta2-C(Ph)=C=CH2) (7), which is structurally analogous to 5. Complex 2 undergoes monosubstitution at iron with each of PPh3 and Ph2PCH2PPh2 (dppm) at room temperature to yield 8 and 9, respectively. Thermolysis of (eta1-dppm)(CO)2Fe(mu-eta3:eta2-C(O)C(Ph)=C=CH2)Ru(CO)CP (9) affords disubstituted, dppm-bridged (CO)2Fe(mu-eta3:eta2-C(O)C(Ph)=C=CH2)(mu-dppm)RuCp (10). Reaction of 5 with PPh3 in hexane at reflux furnishes a monosubstitution product with Fe-PPh3 bonding. All complexes were characterized by a combination of elemental analysis, mass spectrometry, and IR and H-1, C-13, and P-31 NMR spectroscopy. The structures of 2, 5, and 6 were determined by X-ray diffraction analysis. 2: monoclinic, P2(1)/c, a = 7.037(5) angstrom, b = 17.20(1) angstrom, c = 29.69(2) angstrom, beta = 95.58(5)-degrees, Z = 8, R = 0.065, R(w) = 0.074; 5: monoclinic, P2(1)/c, a = 8.068(3) angstrom, b = 15.333(4) angstrom, c = 16.849(3) angstrom, beta = 95.11(1)-degrees, Z = 4, R = 0.037, R(w) = 0.042; 6: monoclinic, P2(1)/c, a = 8.999(4) angstrom, b = 12.914(6) angstrom, c = 36.15(1) angstrom, beta = 93.46(2)-degrees, Z = 8, R = 0.057, R(w) = 0.075.

  DOI：

  10.1021/om00017a066