| 180319-67-9

• CAS: 180319-67-9
• 化学式: C₂₀H₁₃MoO₅P
• 分子量: 460.234
• InChiKey: NQOVNJXXSOHELJ-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：

  三苯基膦 在 AlCl₃ 作用下， 以 四氢呋喃 为溶剂， 生成 、 ((phenyl)2HCCH2P)pentacarbonylmolybdenum 、
  参考文献：
  名称：

  General Syntheses of (RPPh₂)Mo(CO)₅and (RDBP)Mo(CO)₅Complexes from Ph₂PLi and DBPLiviaSingle Electron Transfer Catalysis

  摘要：

  Lithium diphenylphosphide and lithium dibenzophospholide (LiDBP) react rapidly at ambient temperature in dry tetrahydrofuran solutions with Mo(CO)(6) to form [(LiPPh(2))Mo(CO)(5)] and [(LiDBP)Mo(CO)(5)], respectively. These two compounds may be alkylated with halocarbons (RX) or protonated with acetic acid in the same reaction vessel to give good yields of (RPPh(2))Mo(CO)(5), (HPPh(2))Mo(CO)(5), (RDBP)Mo(CO)(5) or (HDBP)Mo(CO)(5). These compounds have been characterized by elemental analyses, physical properties, H-1, C-13{H-1}, (31)p{H-1} and Mo-95 NMR spectroscopy and infrared spectroscopy. Three hydrogen shift isomers are formed in the reaction of [(LiPPh(2))Mo(CO)(5)] with ClCH2C=CH, viz, (HC=CCH(2)PPh(2))Mo(CO)(5), (H2C=C=CHPPh(2))Mo(CO)(5) and (CH3C=CPPh(2))Mo(CO)(5). The crystal structures of the two latter compounds and (1-trans-2-buteneyldibenzophosphole)moly pentacarbonyl, (crotyl DBP)Mo(CO)(5), (at 173K) have been determined. These compounds crystallize in the monoclinic P2(1)/n, triclinic , and triclinic space groups respectively, in unit cells with the following dimension: a = 16.355(3)Angstrom, b = 8.114(1)Angstrom, c = 16.617(3)Angstrom, beta = 113.09 degrees, V = 2028.5(6)Angstrom(3), rho(calc) = 1.507 g cm(-3), Z = 4; a = 8.253(1)Angstrom, b = 10.497(2)Angstrom, c = 11.933(2)Angstrom, alpha= 89.89(1)degrees, beta = 83.61(1)degrees, gamma 77.03(1)degrees, V = 1000.8(4)Angstrom(3), rho(calc) = 1.527 g cm(-3), Z = 2 and a = 7.894(2)Angstrom, b = 10.137(2)Angstrom, c = 13.959(2)Angstrom, alpha = 76.17(1)degrees, beta = 81.42 degrees(1)degrees, gamma = 68.17(1)degrees, V = 1004.6(4)Angstrom(3), rho(calc) = 1.568 g cm(-3), Z = 2, respectively. Least-squares refinements converged to R(F) = 0.0494, 0.0425, and 0.0406 for 2655, 3333 and 2612 independent (I > 2 sigma(I), F > 4 sigma(F), and I > 2 rho(I)) reflections, respectively. Spectroscopic data indicate that the RDBP ligands are better pi-acceptors than the RPPh(2) ligands, but show little differentiation among any of the alkyl substituents.

  DOI：

  10.1080/00945719608004347