methyl(bis[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]sulfane)palladium(II) tetrafluoroborate | 1191912-72-7

• 英文名称: methyl(bis[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]sulfane)palladium(II) tetrafluoroborate
• CAS: 1191912-72-7
• 化学式: BF₄*C₁₅H₂₅N₄PdS
• 分子量: 486.681
• InChiKey: ODQDLUHNHAJMSE-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：

  chloromethyl(1,5-cyclooctadiene)palladium(II) 、 bis[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]sulfane 、 silver tetrafluoroborate 以 二氯甲烷 为溶剂， 以78%的产率得到methyl(bis[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]sulfane)palladium(II) tetrafluoroborate
  参考文献：
  名称：

  Palladium complexes based on tridentate pyrazolyl-ligands: Synthesis, structures and use in Suzuki cross-coupling reactions

  摘要：

  The reaction of [PdCl(Me)(cod)] (cod = 1,5-cyclooctadiene) with tridentate bis(pyrazolyl) ligands affords the alkyl-palladium(II) complexes [Pd(CH3)(NZN)][BF4] (1, NZN = 1,1'-(2,20-oxybis(ethane-2,1-diyl)bis(3,5-dimethyl-1H-pyrazole); 2, NZN = bis[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]sulfane) in good yield. Compounds 1-2 were characterized by elemental analysis, multinuclear NMR spectroscopy, and X-ray structural analysis. Single crystal X-ray structural analyses indicate that the complexes are monomeric and the palladium center resides in a slightly distorted square planar environment. Furthermore, despite their intrinsic similarity, the NON and NSN ligands adopt different coordination modes around the palladium metal center. Additionally, the [PdCl2(NON)] (3) was shown to be an efficient catalyst precursor for the coupling of aryl bromides and iodides with arylboronic acids, esters and borate salts. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.04.014