| 875274-58-1

• CAS: 875274-58-1
• 化学式: C₅H₁₀Cl₂N₂OPd
• 分子量: 291.473
• InChiKey: NHPIMNCVCDLAHI-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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  乙腈 、 palladium dichloride 、 丙酮肟 以 乙腈 为溶剂， 以76%的产率得到
  参考文献：
  名称：

  Microwave‐Assisted and Pd ^II ‐Mediated Nitrile–Oxime Coupling

  摘要：

  AbstractRefluxing PdCl2 with the ketoximes R1R2C=NOH (R1R2 = MeMe, MeEt, C5H10) in RCN (R = Me, Et, nPr, Ph) for 2–3 h results in precipitation of the oxime complexes [PdCl2(R1R2C=NOH)2], whereas further reflux of the reaction mixture for an additional 6–12 h leads to formation of the chelated species [PdCl2{NH=C(R)ON=CR1R2‐κ2N}] (R/R1R2 = Me/MeMe 1; Et/MeMe 2; nPr/MeMe 3; Me/MeEt 4; Me/C5H10 5; Ph/MeMe 6) by a PdII‐mediated coupling between the oximes and the nitriles; complexes 1–6 were isolated in the solid state in 60–75 % yields. The reaction time could be drastically reduced, to 15–30 min, when the system was additionally irradiated with microwaves (100 W, about 60 °C). Compounds 1–6 can also be obtained without isolation of the intermediate oxime complexes either by refluxing for 8–15 h or by microwave irradiation (100 W, about 60 °C) for 15–30 min. The formulation of 1–6 is based upon satisfactory C, H, and N elemental analyses, FAB mass spectrometry, and IR, 1H and 13C{1H} NMR spectroscopy, while the structures of 1·(Me2CO), 1·(CHCl3), 2·(H2O), and 6·½(H2O) were determined by X‐ray single‐crystal diffraction. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejic.200500287