(η3-allyl)(2-(1-octyl-5-phenyl-1H-pyrazol-3-yl)pyridine)palladium(II) tetrafluoroborate | 944162-96-3

• 英文名称: (η3-allyl)(2-(1-octyl-5-phenyl-1H-pyrazol-3-yl)pyridine)palladium(II) tetrafluoroborate
• CAS: 944162-96-3
• 化学式: BF₄*C₂₅H₃₂N₃Pd
• 分子量: 567.774
• InChiKey: CPNNVIVUYBMRAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  bis(η3-allyl-μ-chloropalladium(II)) 、 2-(1-octyl-5-phenyl-1H-pyrazol-3-yl)-pyridine 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 以80%的产率得到(η3-allyl)(2-(1-octyl-5-phenyl-1H-pyrazol-3-yl)pyridine)palladium(II) tetrafluoroborate
  参考文献：
  名称：

  新（η 3 -烯丙基）钯配合物的配体Pyridylpyrazole：合成，表征和研究N1取代基对表观烯丙基旋转的影响

  摘要：

  The allylpalladium [Pd(eta(3)-C3H5)(L)](BF4) (L = L-1 (1), L-2 (2), L-3 (3), L-4 (4)) complexes with pyridylpyrazole ligands 2-(5-phenyl-1H-pyrazol-3-yl)pyridine (L-1), 2-(1-ethyl-5-phenyl-1H-pyrazol-3-yl)pyridine (L-2), 2-(1-octyl-5-phenyl)-1H-pyrazol-3-yl)pyridine (L-3), and 2-(5-phenyl-3-(pyridin-2-yl)pyrazol-1-yl)ethanol (L-4) were synthesized from the appropriate pyridylpyrazole ligand and [Pd(eta(3)-C3H5)Cl](2) in the presence of AgBF4. The cationic complex 1 was converted into the neutral complex 5 under basic conditions. These complexes were characterized, and the crystal and molecular structure of [Pd(eta(3)-C3H5)(L-2)](BF4) (2) was resolved by X-ray diffraction. Also, we have studied the apparent allyl rotation, observed as H-syn-H-syn and H-anti-H-anti interconversions. The influences of the solvent, the traces of water, and the N1 substituent have also been studied.

  DOI：

  10.1021/om070093u