diethyl (Z)-2-(4-oxo-3-(((2-(phenylamino)phenyl)amino)methylene)chroman-2-yl)malonate | 1432594-93-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: diethyl (Z)-2-(4-oxo-3-(((2-(phenylamino)phenyl)amino)methylene)chroman-2-yl)malonate
• CAS: 1432594-93-8
• 化学式: C₂₉H₂₈N₂O₆
• 分子量: 500.551
• InChiKey: PANZGGIXDXPKQS-DYTRJAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  102.96
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  、 邻氨基二苯胺 在 cesium fluoride 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 生成 ethyl 5-(2-hydroxybenzoyl)-2-oxo-1-(2-(phenylamino)phenyl)-1,2-dihydropyridine-3-carboxylate 、 diethyl (Z)-2-(4-oxo-3-(((2-(phenylamino)phenyl)amino)methylene)chroman-2-yl)malonate
  参考文献：
  名称：

  A versatile domino process for the synthesis of substituted 3-aminomethylene-chromanones and 2-pyridones catalyzed by CsF

  摘要：

  The addition of various primary amines onto 3-alpha,beta-unsaturated diester chromone derivative was studied under mild conditions. Basically, this reaction provided 2-pyridone-based compounds through an interesting domino 'Addition/Ring Opening/Ring Closure' process (ARORC). In this study, aniline and tryptamine series exhibited different reactivity profiles leading unexpectedly to 3-aminomethylene chromanones with or without the 2-pyridone derivatives. This constitutes the first description and study of 3-aminomethylene chromanone formation that is supposed to follow a domino process combining 'Addition/Ring Opening/Ring Closure by Oxa-Michael addition' (ARORCOM). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.03.096