methyl 1-(4-chlorophenyl)-4-(2-methoxy-2-oxoethyl)-5-phenyl-1H-pyrrole-3-carboxylate | 1453874-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: methyl 1-(4-chlorophenyl)-4-(2-methoxy-2-oxoethyl)-5-phenyl-1H-pyrrole-3-carboxylate
• 英文别名: Methyl 1-(4-chlorophenyl)-4-(2-methoxy-2-oxoethyl)-5-phenylpyrrole-3-carboxylate；methyl 1-(4-chlorophenyl)-4-(2-methoxy-2-oxoethyl)-5-phenylpyrrole-3-carboxylate
• CAS: 1453874-79-7
• 化学式: C₂₁H₁₈ClNO₄
• 分子量: 383.831
• InChiKey: YEWWZUPVCXUJNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-亚苄基-4-氯苯胺 在 iron(III) chloride 、 copper(l) chloride 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 24.0h， 生成 methyl 1-(4-chlorophenyl)-4-(2-methoxy-2-oxoethyl)-5-phenyl-1H-pyrrole-3-carboxylate
  参考文献：
  名称：

  An atom-economic synthesis of functionalized pyrroles via a sequential metal-catalyzed three-component reaction

  摘要：

  A three-component reaction of one molecule of imine and two molecules of allcynoates is realized with the catalysis of Cu(I) Fe(III) in a sequential manner to allow the direct synthesis of functionalized pyrroles, during which, one C-N bond and two C-C bonds are formed with high atom economy. This method benefits from easily available starting materials, low-cost catalysts, and convenient operations. (C) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2014.01.037

文献信息

• An atom-economic synthesis of functionalized pyrroles via a sequential metal-catalyzed three-component reaction
  作者：Li Yufeng、Shi Jie、Wu Zhengguang、Wang Xinglong、Wu Xiaowei、Gu Jiachao、Bu Hongzhong、Ma Hongfei

  DOI：10.1016/j.tet.2014.01.037

  日期：2014.4

  A three-component reaction of one molecule of imine and two molecules of allcynoates is realized with the catalysis of Cu(I) Fe(III) in a sequential manner to allow the direct synthesis of functionalized pyrroles, during which, one C-N bond and two C-C bonds are formed with high atom economy. This method benefits from easily available starting materials, low-cost catalysts, and convenient operations. (C) 2014 Published by Elsevier Ltd.