Pd^(II)Me(6,6′-dimethyl-2,2′-dipyridyl-N-methylamine)Cl | 1604045-45-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Pd^(II)Me(6,6′-dimethyl-2,2′-dipyridyl-N-methylamine)Cl
• 英文别名: carbanide;N,6-dimethyl-N-(6-methylpyridin-2-yl)pyridin-2-amine;palladium(2+);chloride
• CAS: 1604045-45-5
• 化学式: C₁₄H₁₈ClN₃Pd
• 分子量: 370.19
• InChiKey: YHGQVJSVSNCPEX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  29
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Pd^(II)Me(6,6′-dimethyl-2,2′-dipyridyl-N-methylamine)Cl 、 四(3,5-二(三氟甲基)苯基)硼酸钠 、 乙腈 以 二氯甲烷 为溶剂， 以68%的产率得到[Pd^(II)Me{6,6′-dimethyl-2,2′-dipyridyl-N-neopentylamine}(acetonitrile)]⁺[B(3,5-bis(trifluoromethyl)phenyl)₄]^-
  参考文献：
  名称：

  Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory

  摘要：

  A series of novel neutral and cationic methylpalladium complexes bearing N-alkyl-2,2'-dipyridylaldiminato ligands were prepared and characterized. In the presence of ethylene, the cationic complexes were active as dimerization catalysts, producing a mixture of 1- and 2-butenes. A Pd-ethyl pi-ethylene species was identified as the catalyst resting state by low-temperature spectroscopic and DFT studies, which provided insights into the effect of both steric and electronic factors on the observed reactivity.

  DOI：

  10.1021/om5001293
• 作为产物：
  描述：

  2-氨基-6-甲基吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 potassium hydroxide 作用下， 以 二氯甲烷 、 二甲基亚砜 、 甲苯 为溶剂， 反应 35.75h， 生成 Pd^(II)Me(6,6′-dimethyl-2,2′-dipyridyl-N-methylamine)Cl
  参考文献：
  名称：

  Reactivity of Bis(pyridyl)-N-alkylaminato Methylpalladium Complexes toward Ethylene: Insights from Experiment and Theory

  摘要：

  A series of novel neutral and cationic methylpalladium complexes bearing N-alkyl-2,2'-dipyridylaldiminato ligands were prepared and characterized. In the presence of ethylene, the cationic complexes were active as dimerization catalysts, producing a mixture of 1- and 2-butenes. A Pd-ethyl pi-ethylene species was identified as the catalyst resting state by low-temperature spectroscopic and DFT studies, which provided insights into the effect of both steric and electronic factors on the observed reactivity.

  DOI：

  10.1021/om5001293