N-(2-(4-fluorophenyl)-3-furyl)-1-methyl-4-(trilfuoromethyl)-1H-pyrrole-3-carboxamide | 1211915-78-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-(2-(4-fluorophenyl)-3-furyl)-1-methyl-4-(trilfuoromethyl)-1H-pyrrole-3-carboxamide
• 英文别名: N-(2-(4-fluorophenyl)-3-furyl)-1-methyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxamide；N-[2-(4-fluorophenyl)furan-3-yl]-1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
• CAS: 1211915-78-4
• 化学式: C₁₇H₁₂F₄N₂O₂
• 分子量: 352.288
• InChiKey: LQVDRHXXRXIHOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  47.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-methyl-4-(trifluoromethyl)-1H-pyrrole-3-carbonyl chloride 、 2-(4-fluorophenyl)-3-furanamine 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以53%的产率得到N-(2-(4-fluorophenyl)-3-furyl)-1-methyl-4-(trilfuoromethyl)-1H-pyrrole-3-carboxamide
  参考文献：
  名称：

  Synthesis of potential fungicides based on N-(3-furanyl)pyrrolecarboxamides and N-(3-furanyl)pyrazolecarboxamides

  摘要：

  An efficient synthesis of novel N-(3-furanyl)pyrrolecarboxamides and N-(3-furanyl)pyrazolecarboxamides is presented starting from furan-3-carboxylic acid. Two complementary strategies to 2-aryl-3-furanamines with directed ortho lithiation, functionalization of the 2-position, and subsequent cross-coupling reaction as key steps were developed. Acylation of these intermediates with appropriate acid chlorides led finally to the target compounds.

  DOI：

  10.1007/s00706-009-0187-6

文献信息

• Synthesis of potential fungicides based on N-(3-furanyl)pyrrolecarboxamides and N-(3-furanyl)pyrazolecarboxamides
  作者：Krzysztof Kolodziejczyk、Gheorghe D. Roiban、Michael Schnürch、Marko D. Mihovilovic、Peter Stanetty

  DOI：10.1007/s00706-009-0187-6

  日期：2009.11

  An efficient synthesis of novel N-(3-furanyl)pyrrolecarboxamides and N-(3-furanyl)pyrazolecarboxamides is presented starting from furan-3-carboxylic acid. Two complementary strategies to 2-aryl-3-furanamines with directed ortho lithiation, functionalization of the 2-position, and subsequent cross-coupling reaction as key steps were developed. Acylation of these intermediates with appropriate acid chlorides led finally to the target compounds.