trans-bis(acetato)bis(tris(dimethylamino)phosphine)palladium(II) | 943512-31-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: trans-bis(acetato)bis(tris(dimethylamino)phosphine)palladium(II)
• CAS: 943512-31-0
• 化学式: C₁₆H₄₂N₆O₄P₂Pd
• 分子量: 550.915
• InChiKey: VSXWIYKOWBQQTR-UHFFFAOYSA-L

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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  trans-bis(acetato)bis(tris(dimethylamino)phosphine)palladium(II) 、 N,N-二甲基苯铵四(五氟苯基)硼酸盐 以 乙醚 为溶剂， 以65%的产率得到(κ2-O,O'-acetato)bis(tris(dimethylamino)phosphine)palladium(II) tetrakis(pentafluorophenyl)borate
  参考文献：
  名称：

  带有路易斯碱的阳离子钯（II）膦羧酸盐配合物的反应性研究：取代与环金属化

  摘要：

  Two classes of cationic palladium(II) phosphine carboxylate complexes were isolated and characterized. Reactions of trans-[(R3P)(2)Pd(O2CR')(2)] (1) with [Li(OEt2)(2.5)][B(C6F5)(4)] in MeCN led to carboxylate abstraction and formation of trans-[(R3P)(2)Pd(O2CR')(MeCN)][B(C6F5)(4)] (2) in good to excellent yields. On the other hand, carboxylate abstraction reactions of 1 with [Me-2(H)NPh][B(C6F5)(4)] or p-toluenesulfonic acid (HOTs center dot H2O) in CH2Cl2 furnished the palladium cations [(R3P)(2)Pd(kappa(2)-O,O-O2CR')](+) (3). The reactions of 2 and 3 with Lewis bases were found to be different in some cases. For example, reactions of 2 with pyridine furnished the simple products of acetonitrile substitution, trans-[(R3P)(2)Pd(O2CR')(py)][B(C6F5)(4)]. In contrast, the reaction of 3e (R = Pr-i, R' = CH3) with CD3CN in the presence of excess sodium carbonate yielded a material derived from cyclometalation of one of the Pr-i arms of a (Pr3P)-Pr-i ligand. New complexes were characterized by elemental analyses and NMR (H-1, C-13, and P-31) spectroscopic methods and in two cases by single-crystal X-ray structural methods.

  DOI：

  10.1021/om070069g
• 作为产物：
  描述：

  palladium diacetate 、 三(二甲胺基)膦 以 二氯甲烷 为溶剂， 以70%的产率得到trans-bis(acetato)bis(tris(dimethylamino)phosphine)palladium(II)
  参考文献：
  名称：

  带有路易斯碱的阳离子钯（II）膦羧酸盐配合物的反应性研究：取代与环金属化

  摘要：

  Two classes of cationic palladium(II) phosphine carboxylate complexes were isolated and characterized. Reactions of trans-[(R3P)(2)Pd(O2CR')(2)] (1) with [Li(OEt2)(2.5)][B(C6F5)(4)] in MeCN led to carboxylate abstraction and formation of trans-[(R3P)(2)Pd(O2CR')(MeCN)][B(C6F5)(4)] (2) in good to excellent yields. On the other hand, carboxylate abstraction reactions of 1 with [Me-2(H)NPh][B(C6F5)(4)] or p-toluenesulfonic acid (HOTs center dot H2O) in CH2Cl2 furnished the palladium cations [(R3P)(2)Pd(kappa(2)-O,O-O2CR')](+) (3). The reactions of 2 and 3 with Lewis bases were found to be different in some cases. For example, reactions of 2 with pyridine furnished the simple products of acetonitrile substitution, trans-[(R3P)(2)Pd(O2CR')(py)][B(C6F5)(4)]. In contrast, the reaction of 3e (R = Pr-i, R' = CH3) with CD3CN in the presence of excess sodium carbonate yielded a material derived from cyclometalation of one of the Pr-i arms of a (Pr3P)-Pr-i ligand. New complexes were characterized by elemental analyses and NMR (H-1, C-13, and P-31) spectroscopic methods and in two cases by single-crystal X-ray structural methods.

  DOI：

  10.1021/om070069g