[(acetyl)(tris(m-fluorophenyl)phosphine)Co(CO)3] | 872318-96-2

• 英文名称: [(acetyl)(tris(m-fluorophenyl)phosphine)Co(CO)3]
• CAS: 872318-96-2
• 化学式: C₂₃H₁₅CoF₃O₄P
• 分子量: 502.332
• InChiKey: PSRJLIDHVRBZRH-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

• 作为反应物：
  描述：

  [(acetyl)(tris(m-fluorophenyl)phosphine)Co(CO)3] 、 一氧化碳 以 四氢呋喃 为溶剂， 生成 acetyltetracarbonylcobalt
  参考文献：
  名称：

  The role of phosphine in cobalt-catalyzed carbonylative polymerization of N-alkylaziridine

  摘要：

  A series of CH3COCo(CO)(3)L complexes (1, L = PCy3; 2, L = PMe2Ph; 3, L = PPh3; 4, L = P(para-F-Ph)(3); 5, L = P(meta-F-Ph)(3); and 6, L = P(ortho-tolyl)(3)) were studied as precatalyst for the title polymerization. The Co-P bond length primarily responds to the cone angle of the phosphine ligand (6 > 1 > 2 approximate to 3 approximate to 4 approximate to 5), while the back-donation to the axial acetyl ligand and the equatorial CO ligand depends on the electron-donating ability of the phosphine and increases in the order 1 > 6 > 2 > 3 > 4 > 5. The equilibrium constant for CH3COCo(CO)(3)L + CO <-> CH3COCO(CO)(4) + L depends on the electron-donating ability of the phosphine ligand except for 6 and follows the order 6 >> 5 > 4 > 3 > 2 > 1. The catalytic activity follows the order 6 > 5 > 4 > 3 > 1 > 2. The activity difference cannot be explained solely by the above equilibrium and is consistent with the competition for the acyl site by the phosphine as nucleophile against aziridine. The production of the beta-lactam byproduct is attributed to catalyst decomposition, which is accelerated to the basicity/nucleophilicity of the phosphine ligand. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.050
• 作为产物：
  描述：

  sodium tetracarbonyl cobaltate 、 一氧化碳 、 三(3-氟苯基)膦 、 碘甲烷 以 乙醚 为溶剂， 以63%的产率得到[(acetyl)(tris(m-fluorophenyl)phosphine)Co(CO)3]
  参考文献：
  名称：

  The role of phosphine in cobalt-catalyzed carbonylative polymerization of N-alkylaziridine

  摘要：

  A series of CH3COCo(CO)(3)L complexes (1, L = PCy3; 2, L = PMe2Ph; 3, L = PPh3; 4, L = P(para-F-Ph)(3); 5, L = P(meta-F-Ph)(3); and 6, L = P(ortho-tolyl)(3)) were studied as precatalyst for the title polymerization. The Co-P bond length primarily responds to the cone angle of the phosphine ligand (6 > 1 > 2 approximate to 3 approximate to 4 approximate to 5), while the back-donation to the axial acetyl ligand and the equatorial CO ligand depends on the electron-donating ability of the phosphine and increases in the order 1 > 6 > 2 > 3 > 4 > 5. The equilibrium constant for CH3COCo(CO)(3)L + CO <-> CH3COCO(CO)(4) + L depends on the electron-donating ability of the phosphine ligand except for 6 and follows the order 6 >> 5 > 4 > 3 > 2 > 1. The catalytic activity follows the order 6 > 5 > 4 > 3 > 1 > 2. The activity difference cannot be explained solely by the above equilibrium and is consistent with the competition for the acyl site by the phosphine as nucleophile against aziridine. The production of the beta-lactam byproduct is attributed to catalyst decomposition, which is accelerated to the basicity/nucleophilicity of the phosphine ligand. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.050