6-acetyl-2-amino-4-(4-fluorophenyl)-5-hydroxy-4H-chromene-3-carbonitrile | 1342890-88-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: 6-acetyl-2-amino-4-(4-fluorophenyl)-5-hydroxy-4H-chromene-3-carbonitrile
• CAS: 1342890-88-3
• 化学式: C₁₈H₁₃FN₂O₃
• 分子量: 324.311
• InChiKey: PEABJVASGNXUQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  96.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 2-(4-氟亚苄基)-丙二腈 在 calcium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以85%的产率得到6-acetyl-2-amino-4-(4-fluorophenyl)-5-hydroxy-4H-chromene-3-carbonitrile
  参考文献：
  名称：

  Ca(OH)2-mediated efficient synthesis of 2-amino-5-hydroxy-4H-chromene derivatives with various substituents

  摘要：

  A variety of novel 2-amino-5-hydroxy-4H-chromene derivatives with various substituents on the 4H-chromene ring were efficiently synthesized by one-pot reactions of substituted resorcinols and various 2-benzylidenemalononitriles in the presence of calcium hydroxide in methanol at room temperature. This simple method provided 2-amino-5-hydroxy-4H-chromenes with high yields under mild reaction conditions. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2011.08.086

文献信息

• Ca(OH)2-mediated efficient synthesis of 2-amino-5-hydroxy-4H-chromene derivatives with various substituents
  作者：Srinivasa Rao Kolla、Yong Rok Lee

  DOI：10.1016/j.tet.2011.08.086

  日期：2011.10

  A variety of novel 2-amino-5-hydroxy-4H-chromene derivatives with various substituents on the 4H-chromene ring were efficiently synthesized by one-pot reactions of substituted resorcinols and various 2-benzylidenemalononitriles in the presence of calcium hydroxide in methanol at room temperature. This simple method provided 2-amino-5-hydroxy-4H-chromenes with high yields under mild reaction conditions. (C) 2011 Published by Elsevier Ltd.