bis(3,5-dimethylpyrazol-1-yl)methanebis(acetato)palladium(II) | 1239487-88-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: bis(3,5-dimethylpyrazol-1-yl)methanebis(acetato)palladium(II)
• CAS: 1239487-88-7
• 化学式: C₁₅H₂₂N₄O₄Pd
• 分子量: 428.784
• InChiKey: XPGKNXPZZJQDHZ-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：

  水 、 palladium diacetate 、 1-[(3,5-二甲基吡唑-1-基)甲基]-3,5-二甲基吡唑 以 二氯甲烷 为溶剂， 以99%的产率得到bis(3,5-dimethylpyrazol-1-yl)methanebis(acetato)palladium(II)
  参考文献：
  名称：

  Spectroscopic and computational studies on a new Pd(II)-bis(pyrazol-1-yl)methane aqua-complex

  摘要：

  By reacting a stoichiometric amount of BPM or Me2BPM (BPM = bis(pyrazol-1-yl)methane, Me2BPM = bis(3,5-dimethylpyrazol-1-yl)methane) with Pd(OAc)(2) (OAc = acetate) in CH2Cl2, the new neutral complexes [Pd(OAc)(2)(BPM)] (1) and (Pd(OAc)(2)(Me2BPM)1(1(Me)) were isolated and characterized by NMR and IR spectroscopy. Acidolysis of one Pd-OAc bond of compound 1 by using aqueous perchloric acid in methanol led to the formation of the stable cationic aqua-complex [Pd(OAc)(H2O)(BPM)](ClO4) (2-ClO4). The [Pd(OAc)(H2O)(BPM)](+) cation was obtained also by reacting 1 with trifluoromethanesulfonic acid. NMR studies on inter- and intra-molecular hydrogen bonding of the aqua-ligand have been carried out and the data obtained have been interpreted on the basis of the results of DFT calculations. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.05.002