(Z)-ethyl 2-(4-nitrobenzoyl)-4-oxo-4-phenyl-3-(1H-pyrazol-1-yl)but-2-enoate | 1434752-74-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (Z)-ethyl 2-(4-nitrobenzoyl)-4-oxo-4-phenyl-3-(1H-pyrazol-1-yl)but-2-enoate
• 英文别名: ethyl (Z)-2-(4-nitrobenzoyl)-4-oxo-4-phenyl-3-pyrazol-1-ylbut-2-enoate
• CAS: 1434752-74-5
• 化学式: C₂₂H₁₇N₃O₆
• 分子量: 419.393
• InChiKey: WMNGIULEHXDWQQ-HNENSFHCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  124
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  吡唑 、 ethyl 2-(4-nitrobenzoyl)-4-oxo-4-phenylbut-2-enoate 在 copper(II) acetate monohydrate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.0h， 以70%的产率得到(E)-ethyl 2-(4-nitrobenzoyl)-4-oxo-4-phenyl-3-(1H-pyrazol-1-yl)but-2-enoate
  参考文献：
  名称：

  Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant

  摘要：

  An efficient procedure has been developed for the preparation of tetrasubstituted unsymmetrical 1,4-enediones via copper-promoted autotandem catalysis and air as the oxidant. Various N-nucleophiles are compatible with this reaction, such as morpholine, piperidine, pyrrolidine, arylamines, pyrazole, imidazole, benzimidazole, and benzotriazole. This reaction also has significant advantages in easily available substrates, atom economy, bond-forming efficiency, and environmental benignity.

  DOI：

  10.1021/jo400564f

文献信息

• Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant
  作者：Yan Yang、Fan Ni、Wen-Ming Shu、Shang-Bo Yu、Meng Gao、An-Xin Wu

  DOI：10.1021/jo400564f

  日期：2013.6.7

  An efficient procedure has been developed for the preparation of tetrasubstituted unsymmetrical 1,4-enediones via copper-promoted autotandem catalysis and air as the oxidant. Various N-nucleophiles are compatible with this reaction, such as morpholine, piperidine, pyrrolidine, arylamines, pyrazole, imidazole, benzimidazole, and benzotriazole. This reaction also has significant advantages in easily available substrates, atom economy, bond-forming efficiency, and environmental benignity.