| 885669-54-5

• CAS: 885669-54-5
• 化学式: C₂₃H₅₂CoNOP₂Si₂
• 分子量: 535.784
• InChiKey: RPSSLTDBHPEHQQ-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：

  以 环己烷 为溶剂， 生成 [((t)Bu2PCH2SiMe2)2N]Co(I)
  参考文献：
  名称：

  由 (PNP)M(CO)、M = Co 和 Rh 的闪光光解形成的瞬变与金属相关的反应性差异

  摘要：

  自旋三重态 (PNP)Co 根据 k = 9.3 × 105 M-1 s-1 的每个试剂中的一阶速率定律添加一个 CO。相比之下，CO 从 (PNP)Rh(CO) 光解产生的瞬态在 10 ns 内形成 Rh(III) 物种 [η4-tBu2PCH2SiMe2NSiMe2CH2PtBu(CMe2CH2)]RhH，这以二阶速率添加 CO常数为 6 × 106 M-1 s-1。生成的单羰基然后缓慢地 (k = 3 × 101 s-1) 还原性地消除 H 和 C(sp3) 以重新形成 (PNP)Rh(CO)。前两个速率常数支持三重态 (PNP)Co 和单重态 (PNP)Co(CO) 之间的自旋交叉导致速率抑制的想法。

  DOI：

  10.1021/ja076357l
• 作为产物：
  描述：

  [((t)Bu2PCH2SiMe2)2N]CoCl 在 sodium naphthalide 作用下， 以 四氢呋喃 、 正戊烷 为溶剂， 生成
  参考文献：
  名称：

  Exploring the Reactivity of Four-Coordinate PNPCoX with Access to Three-Coordinate Spin Triplet PNPCo

  摘要：

  The compounds (PNP)CoX, where PNP is ((Bu2PCH2SiMe2)-Bu-t)(2)N- and X is Cl, l, N-3, OAr, OSO2CF3 and N(H)Ar, are reported. Some of these show magnetic susceptibility, color, and H-1 NMR evidence of being in equilibrium between a blue, tetrahedral S = 3/2 state and a red, planar S = 1/2 state; the equilibrium populations are influenced by subtle solvent effects (e.g., benzene and cyclohexane are different), as well as by temperature. Attempted oxidation to Co(III) with O-2 occurs instead at phosphorus, giving [P(O)NP(O)]CoX species. The single O-atom transfer reagent Phl=O likewise oxidizes P. Even l(2) oxidizes P to give the pendant phosphonium species ((t)Bu2P(l)CH2SiMe2-(NSiMe2CH2PBU2)-B-t)Col(2) with a tetrahedral S = 3/2 cobalt; the solid-state structure shows intermolecular Pl center dot center dot center dot lCo interactions. Attempted alkyl metathesis of PNPCoX inevitably results in reduction, forming PNPCo, which is a spin triplet with planar T-shaped coordination geometry with no agostic interaction. Triplet PNPCo binds N-2(weakly) and CO (whose low CO stretching frequency indicates strong PNP -> Co donor power), but not ethene or MeCCMe.

  DOI：

  10.1021/ic701171p