ethyl 1-(3-nitrophenyl)-4-(3-nitrophenylamino)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate | 1345963-88-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: ethyl 1-(3-nitrophenyl)-4-(3-nitrophenylamino)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
• 英文别名: Ethyl 4-(3-nitroanilino)-1-(3-nitrophenyl)-2-phenyl-2,5-dihydropyrrole-3-carboxylate
• CAS: 1345963-88-3
• 化学式: C₂₅H₂₂N₄O₆
• 分子量: 474.473
• InChiKey: IYUSLPNRGOWNKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-溴乙酰乙酸乙酯 、 苯甲醛 、 间硝基苯胺 以 甲醇 为溶剂， 反应 24.0h， 以63%的产率得到ethyl 1-(3-nitrophenyl)-4-(3-nitrophenylamino)-2-phenyl-2,5-dihydro-1H-pyrrole-3-carboxylate
  参考文献：
  名称：

  Formation of novel 1,2,3,4-tetrasubstituted 3-pyrrolines via cyclisation of γ-halo-β-ketoesters with aromatic amines and aldehydes

  摘要：

  Cyclisation of gamma-halo-beta-ketoesters with aromatic amines and aldehydes in methanol gave novel polysubstituted 3-pyrroline derivatives. A plausible mechanism for the reaction has been proposed. The structures of 1,2,3,4-tetrasubstituted 3-pyrrolines were confirmed by NMR spectroscopy and X-ray crystallography. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.09.072

文献信息

• Formation of novel 1,2,3,4-tetrasubstituted 3-pyrrolines via cyclisation of γ-halo-β-ketoesters with aromatic amines and aldehydes
  作者：Brigita Cekavicus、Kintija Kore、Liva Jakovele、Aiva Plotniece、Karlis Pajuste、Marina Petrova、Sergey Belyakov、Arkadij Sobolev

  DOI：10.1016/j.tetlet.2011.09.072

  日期：2011.11

  Cyclisation of gamma-halo-beta-ketoesters with aromatic amines and aldehydes in methanol gave novel polysubstituted 3-pyrroline derivatives. A plausible mechanism for the reaction has been proposed. The structures of 1,2,3,4-tetrasubstituted 3-pyrrolines were confirmed by NMR spectroscopy and X-ray crystallography. (C) 2011 Elsevier Ltd. All rights reserved.