[Pd(II)Et{6,6′-dimethyl-2,2′-dipyridyl-N-methylamine}(ethylene)]+[B(3,5-bis(trifluoromethyl)phenyl)4]- | 1604045-78-4

• 英文名称: [Pd(II)Et{6,6′-dimethyl-2,2′-dipyridyl-N-methylamine}(ethylene)]+[B(3,5-bis(trifluoromethyl)phenyl)4]-
• 英文别名: [Pd^(II)Et{6,6′-dimethyl-2,2′-dipyridyl-N-methylamine}(ethylene)]⁺[B(3,5-bis(trifluoromethyl)phenyl)₄]^-
• CAS: 1604045-78-4
• 化学式: C₁₇H₂₄N₃Pd*C₃₂H₁₂BF₂₄
• 分子量: 1240.04
• InChiKey: QSZJUNJDJLGRQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  乙烯 、 生成 丁烯 、 [Pd(II)Et{6,6′-dimethyl-2,2′-dipyridyl-N-methylamine}(ethylene)]+[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