(η(5)-C5H5)Mo(CO)2(P(p-MeOPh)3)(COMe) | 35795-57-4

• 英文名称: (η(5)-C5H5)Mo(CO)2(P(p-MeOPh)3)(COMe)
• CAS: 35795-57-4
• 化学式: C₃₀H₂₉MoO₆P
• 分子量: 612.47
• InChiKey: IZLNKDCUVDIBTO-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：

  methyl-tricarbonyl(η-cyclopentadienyl)molybdenum 、 三(4-甲氧苯基)膦 以 neat (no solvent) 为溶剂， 生成 (η(5)-C5H5)Mo(CO)2(P(p-MeOPh)3)(COMe)
  参考文献：
  名称：

  Solvent-Free Organometallic Migratory Insertion Reactions

  摘要：

  Migratory insertion reactions of organometallic complexes have been shown to occur in the absence of solvent and, more significantly, between solid reagents. Reaction between eta(5)-C5H5)M(CO)(3)Me (M = Mo, W) or (,eta(5)-C5H5)Fe(CO)(2)Me and PPh3 (no solvent) took place at temperatures between 40 and 90 degreesC and gave the products (eta(5)-C5H5)M(CO)(2)(PPh3)COMe and (eta(5)-C5H5)Fe(CO)(PPh3)COMe in moderate to good yield (60-99%). The Mo and W complexes reacted in the solid state when T < 80 degreesC. The decarbonylation of (eta(5)-C5H5)MO(CO)(2)(PPh3)COMe to yield (eta(5)-C5H5)Mo(CO)(2)(PPh3)Me also occurred in the solid state (120 degreesC). Reaction of (eta(5)-C5H5)MO(CO)(3)Me with a range of ligands, L (L = PPh3, P(p-MeOC6H4)(3), PCy3, PEt3, AsPh3, POPh3, P(OEt)(3); 1:1 reagent ratio, 90 degreesC, 15 min), in the absence of solvent gave (eta(5)-C5H5)Mo(CO)(2)(L)COMe (7-100% yield) and, on extended reaction, (eta(5)-C5H5)Mo(CO)(2)(L)Me in varying yields. A kinetic study of the solid-state reaction between (eta(5)-C5H5)Mo(CO)(3)Me and PPh3 yielded rate constants, e.g. k = 5.18 x 10(-5)s(-1) (Mo:p = 1:10; 50 degreesC), which compares with the literature solution data in toluene (k = (0.8-2.5) X 10(-5) s(-1), 50 degreesC) using similar metal to ligand ratios. The data are consistent with a pseudo-first-order reaction in the presence of PPh3. Diffusional effects on the reaction rate are detected at low temperature and low PPh3 ratios.

  DOI：

  10.1021/om0301738