[2-(4-fluorophenyl)-4H-chromen-4-yl]malononitrile | 1428871-47-9

• 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: [2-(4-fluorophenyl)-4H-chromen-4-yl]malononitrile
• 英文别名: 2-[2-(4-fluorophenyl)-4H-chromen-4-yl]propanedinitrile
• CAS: 1428871-47-9
• 化学式: C₁₈H₁₁FN₂O
• 分子量: 290.297
• InChiKey: ZAPRAUHLJSPBGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 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：
  56.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one 、 丙二腈 以 甲苯 为溶剂， 以85%的产率得到[2-(4-fluorophenyl)-4H-chromen-4-yl]malononitrile
  参考文献：
  名称：

  Selective Synthesis of Cyano-Functionalized 2-Aryl-4H-chromenes and 2-Amino-4H-chromene-3-carbonitriles by Catalyst-Tuned Reactions of 2-Hydroxychalcones with 2-Substituted Acetonitriles

  摘要：

  A selective synthesis of 4H-chromenes by the reactions of 2-hydroxychalcone derivatives with acetonitriles substituted with electron-withdrawing groups is described. Under catalyst-free conditions, the reactions give cyano-functionalized 2-aryl-4H-chromenes, whereas in the presence of sodium bicarbonate, 2-amino-4H-chromene-3-carbonitriles are obtained in excellent yields.

  DOI：

  10.1055/s-0032-1317945

文献信息

• Selective Synthesis of Cyano-Functionalized 2-Aryl-4H-chromenes and 2-Amino-4H-chromene-3-carbonitriles by Catalyst-Tuned Reactions of 2-Hydroxychalcones with 2-Substituted Acetonitriles
  作者：Guodong Yin、Houqiang Shi、Liqianyun Xu、Xianhong Wei、Qing Tao

  DOI：10.1055/s-0032-1317945

  日期：——

  A selective synthesis of 4H-chromenes by the reactions of 2-hydroxychalcone derivatives with acetonitriles substituted with electron-withdrawing groups is described. Under catalyst-free conditions, the reactions give cyano-functionalized 2-aryl-4H-chromenes, whereas in the presence of sodium bicarbonate, 2-amino-4H-chromene-3-carbonitriles are obtained in excellent yields.