dichloropalladium(II)(2-(1-octyl-5-trifluoromethyl-1H-pyrazol-3-yl)pyridine) | 928625-98-3

• 英文名称: dichloropalladium(II)(2-(1-octyl-5-trifluoromethyl-1H-pyrazol-3-yl)pyridine)
• CAS: 928625-98-3
• 化学式: C₁₇H₂₂Cl₂F₃N₃Pd
• 分子量: 502.703
• InChiKey: JEAYYAOGRPHIOF-UHFFFAOYSA-L

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：

  双(乙腈)氯化钯(II) 、 吡啶,2-[1-辛基-5-(三氟甲基)-1H-吡唑-3-基]- 以 乙腈 为溶剂， 以63%的产率得到dichloropalladium(II)(2-(1-octyl-5-trifluoromethyl-1H-pyrazol-3-yl)pyridine)
  参考文献：
  名称：

  Pd(II) complexes containing N-alkyl-3-pyridine-5-trifluoromethyl pyrazole ligands: Synthesis, NMR studies and X-ray crystal structures

  摘要：

  Palladium [PdCl2(L)] complexes with N-alkylpyridylpyrazole derived ligands [2-(5-trifluoromethyl-1H-pyrazol-3-yl)pyridine (L-1), 2(1-ethyl-5-trifluoromethyl-1H-pyrazol-3-yl)pyridine (L-2), 2-(1-octyl-5-trifluoromethyl-1H-pyrazol-3-yl)pyridine (L), and 2-(3-pyridin2-yl-5-trifluoromethyl-pyrazol-1-yl)ethanol (L-4) were synthesised. The crystal and molecular structures of [PdCl2,(L)] (L = L-2, L-3, L-4) were resolved by X-ray diffraction, and consist of monomeric cis-[PdC](2)(L)] molecules. The palladium centre has a typical square-planar geometry, with a slight tetrahedral distortion. The tetra-coordinate metal atom is bonded to one pyridinic nitrogen, one pyrazolic nitrogen and two chlorine ligands in cis disposition. Reaction of L (L-2, L-4) with [Pd(CH3CN)(4)](BF4)(2), in the ratio 1M:2L, gave complexes [Pd(L)](2)(BF4)(2). Treatment of [PdCl2(L)] (L = L-2, L-4) with NaBF4 and pyridine (py) and treatment of the same complexes with AgBF4 and triphenylphosphine (PPh3) Yielded [Pd(L)(py)(2)](BF4)(2) and [Pd(L)(PPh3)(2)](BF4)(2) complexes, respectively. Finally, reaction of [PdCl2(L)] with 1 equiv of AgBF4 yields [PdCI(L-4)](BF4). (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.08.058