2,6-difluoro-4H-pyrimidin-4-ide;2,6-difluoropyrimidin-4-olate;nickel(2+);triethylphosphane | 256234-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,6-difluoro-4H-pyrimidin-4-ide;2,6-difluoropyrimidin-4-olate;nickel(2+);triethylphosphane
• CAS: 256234-43-2
• 化学式: C₂₀H₃₂F₄N₄NiOP₂
• 分子量: 541.131
• InChiKey: RKDTUKIMZRZREH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  55.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  三乙基膦 在 CsOH*H₂O 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 2,6-difluoro-4H-pyrimidin-4-ide;2,6-difluoropyrimidin-4-olate;nickel(2+);triethylphosphane
  参考文献：
  名称：

  Nickel-Assisted Carbon-Fluorine Bond Activation of 2,4,6-Trifluoropyrimidine: Synthesis of New Pyrimidine and Pyrimidinone Derivatives

  摘要：

  Rapid and regioselective activation of the C-F bond of 2,4,6-trifluoropyrimidine occurs on reaction with [Ni(cod)(2)] (cod=1,5-cyclooctadiene) in the presence of PEt(3) to give 1, which can be converted into complex 2, containing a further N(3)-metalated pyrimidin-4-one unit. The novel pyrimidin-4-one 3 is released on protonation of 2.

  DOI：

  10.1002/(sici)1521-3773(19991115)38:22<3326::aid-anie3326>3.0.co;2-7

文献信息

• Nickel-Assisted Carbon-Fluorine Bond Activation of 2,4,6-Trifluoropyrimidine: Synthesis of New Pyrimidine and Pyrimidinone Derivatives
  作者：Thomas Braun、Simon P. Foxon、Robin N. Perutz、Paul H. Walton

  DOI：10.1002/(sici)1521-3773(19991115)38:22<3326::aid-anie3326>3.0.co;2-7

  日期：1999.11.15

  Rapid and regioselective activation of the C-F bond of 2,4,6-trifluoropyrimidine occurs on reaction with [Ni(cod)(2)] (cod=1,5-cyclooctadiene) in the presence of PEt(3) to give 1, which can be converted into complex 2, containing a further N(3)-metalated pyrimidin-4-one unit. The novel pyrimidin-4-one 3 is released on protonation of 2.