1,2-bis(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1,2-dione | 1425543-08-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-bis(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1,2-dione
• 英文别名: 1,2-Bis(1,3-dimethylpyrazol-4-yl)ethane-1,2-dione；1,2-bis(1,3-dimethylpyrazol-4-yl)ethane-1,2-dione
• CAS: 1425543-08-3
• 化学式: C₁₂H₁₄N₄O₂
• 分子量: 246.269
• InChiKey: SUDASRQTHLQYAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,3-bis(1,3-dimethyl-1H-pyrazol-4-yl)propane-1,3-dione 在 thulium(III) nitrate hydrate 、 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以75%的产率得到1,2-bis(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1,2-dione
  参考文献：
  名称：

  Unexpected formation of a 1,2-diketone from a 1,3-diketone mediated by lanthanides

  摘要：

  The first example of the formation of a 1,2-heteroaromatic diketone from a 1,3-diketone by air oxidation mediated by lanthanides is described. The structures of the products are confirmed by X-ray single crystal diffraction and NMR spectroscopy. A possible reaction mechanism is proposed. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.066

文献信息

• Unexpected formation of a 1,2-diketone from a 1,3-diketone mediated by lanthanides
  作者：Ilya V. Taydakov、Yulia V. Nelyubina

  DOI：10.1016/j.tetlet.2013.01.066

  日期：2013.3

  The first example of the formation of a 1,2-heteroaromatic diketone from a 1,3-diketone by air oxidation mediated by lanthanides is described. The structures of the products are confirmed by X-ray single crystal diffraction and NMR spectroscopy. A possible reaction mechanism is proposed. (c) 2013 Elsevier Ltd. All rights reserved.