| 207129-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 吖萘类
• CAS: 207129-37-1
• 化学式: C₃₈H₄₆N₂Pd
• 分子量: 639.195
• InChiKey: NJVWDNBLTAFBLV-LCDUPBQKSA-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：

  [H(OEt2)2][B(C6H3(CF3)2)4] 、 以 乙醚 为溶剂， 以90%的产率得到
  参考文献：
  名称：

  The Dynamics of the β-Agostic Isopropyl Complex (ArNC(R)−C(R)NAr)Pd(CH(CH₂-μ-H)(CH₃))⁺BAr₄‘^- (Ar = 2,6-C₆H₃(i-Pr)₂):  Evidence for In-Place Rotation versus Dissociation of the Agostic Methyl Group

  摘要：

  Variable-temperature H-1 and C-13 NMR spectroscopy has been used to study the dynamics of the beta-agostic isopropyl complex (ArN=C(R)-C(R)=NAr)Pd(CH(CH2-mu-H)(CH3))+BAr4'(-) (Ar = 2,6-C6H3(i-Pr)(2)). H-1 and C-13 line shape analysis suggests two independent processes occur: interchange of the agostic and nonagostic methyl groups and exchange of hydrogens within the agostic methyl group, which is best regarded as in-place methyl group rotation. Barriers for both of these processes are similar, with Delta G double dagger ca. 9 kcal/mol. The methyl groups undergo interchange without inversion at the Pd(II) center.

  DOI：

  10.1021/om971137+
• 作为产物：
  描述：

  1,2-双-[(2,6-二异丙基苯基)亚氨基]苊 、 di(methyl-13C)magnesium 、 trans-dichlorobis(dimethylsulfide)palladium(II) 以 乙醚 为溶剂， 以16%的产率得到
  参考文献：
  名称：

  The Dynamics of the β-Agostic Isopropyl Complex (ArNC(R)−C(R)NAr)Pd(CH(CH₂-μ-H)(CH₃))⁺BAr₄‘^- (Ar = 2,6-C₆H₃(i-Pr)₂):  Evidence for In-Place Rotation versus Dissociation of the Agostic Methyl Group

  摘要：

  Variable-temperature H-1 and C-13 NMR spectroscopy has been used to study the dynamics of the beta-agostic isopropyl complex (ArN=C(R)-C(R)=NAr)Pd(CH(CH2-mu-H)(CH3))+BAr4'(-) (Ar = 2,6-C6H3(i-Pr)(2)). H-1 and C-13 line shape analysis suggests two independent processes occur: interchange of the agostic and nonagostic methyl groups and exchange of hydrogens within the agostic methyl group, which is best regarded as in-place methyl group rotation. Barriers for both of these processes are similar, with Delta G double dagger ca. 9 kcal/mol. The methyl groups undergo interchange without inversion at the Pd(II) center.

  DOI：

  10.1021/om971137+