| 1144038-94-7

• CAS: 1144038-94-7
• 化学式: C₄₇H₃₈ClNP₃PdS₂*Cl
• 分子量: 951.205
• InChiKey: GLGLSBBWZZRWBV-UHFFFAOYSA-M

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 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  The Effect of a Fourth Binding Site on the Stabilization of Cationic SPS Pincer Palladium Complexes: Experimental, DFT, and Mass Spectrometric Studies

  摘要：

  A potentially tetradentate ligand was synthesized by the addition of alpha-Li-picoline to the 2,6-bis(diphenylphosphine sulfide)-3,5-diphenylphosphinine (SPS) ligand. The corresponding Pd complex (3) was obtained by the reaction with [(COD)PdCl2]. An air-stable cationic Pd(II) complex (4) was obtained after abstraction of Cl- with silver salt. The role of the additional binding site in the stabilization of the cationic complex was explored using NMR spectroscopic and tandem ESI-MS studies combined with DFT calculations. Additionally the picoline moiety was used to tune the electronic properties of the cationic complex 7 to modify the activity in the Lewis acid-catalyzed allylation of aldehydes.

  DOI：

  10.1021/om800690t
• 作为产物：
  描述：

  2,6-bis(diphenylphosphine sulfide)-3,5-diphenylphosphinine 以 四氢呋喃 、 乙醚 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  The Effect of a Fourth Binding Site on the Stabilization of Cationic SPS Pincer Palladium Complexes: Experimental, DFT, and Mass Spectrometric Studies

  摘要：

  A potentially tetradentate ligand was synthesized by the addition of alpha-Li-picoline to the 2,6-bis(diphenylphosphine sulfide)-3,5-diphenylphosphinine (SPS) ligand. The corresponding Pd complex (3) was obtained by the reaction with [(COD)PdCl2]. An air-stable cationic Pd(II) complex (4) was obtained after abstraction of Cl- with silver salt. The role of the additional binding site in the stabilization of the cationic complex was explored using NMR spectroscopic and tandem ESI-MS studies combined with DFT calculations. Additionally the picoline moiety was used to tune the electronic properties of the cationic complex 7 to modify the activity in the Lewis acid-catalyzed allylation of aldehydes.

  DOI：

  10.1021/om800690t