| 1019663-83-2

• CAS: 1019663-83-2
• 化学式: C₂₂H₅₂CoN₂P₂Si₂*C₃₂H₁₂BF₂₄
• 分子量: 1385.0
• InChiKey: JFCNLDQLIBORHM-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：

  ferrocenium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate 、 [((t)Bu2PCH2SiMe2)2N]CoN3 以 氘代四氢呋喃 为溶剂， 生成 二茂铁 、
  参考文献：
  名称：

  Redox Chemistry of the Triplet Complex (PNP)Co^I

  摘要：

  Reaction of PNPCo, where PNP is ((Bu2PCH2SiMe2)-Bu-t)(2)N-, with the persistent radical galvinoxyl, G, gives PNPCo(parallel to)G, a nonplanar S = 3/2 species. Reaction with PhCH2Cl or with 0.5 mol I-2 gives PNPCoX (X = Cl or I, respectively), but additional I-2, Seeking Co-parallel to|, gives instead oxidation at phosphorus: ((Bu2P)-Bu-t(I)(CH2SiMe2NSiMe2CH2PBu2)-Bu-t)CoI2. Hydrogen-atom transfer reagents fail to give PNPCoH, but H-2 gives instead PNPCo(H)2, a result rationalized thermodynamically based on DFT calculations. Multiple equiv of PhSiH3 give a product of Co(V), where N/SiPh and P/Si bonds have formed. N2CH(SiMe3) gives a 1:1 adduct of PNPCo, whose metric parameters suggest partial oxidation above Col; N2CHPh gives a 1:1 adduct but with very different spectroscopic features. PhN3 reacts fast, via several intermediates detected below 0 degrees C, to finally release N-2 and form a Col product where one phosphorus has been oxidized, PN(P = NPh)Co. Whereas PNPCo(N-3) resists loss of N-2 on heating, one electron oxidation gives a rapid loss of N-2, and the remaining nitride nitrogen is quickly incorporated into the chelate ligand, giving [(Bu2PCH2SiMe2NSiMe2NP)-Bu-t(Bu-t(2))=CH2Co]. O-2 or Phl = O generally gives products where one or both phosphorus centers are converted to its oxide, bonded to cobalt.

  DOI：

  10.1021/ja074378+