2-amino-4-[2-(4-fluorophenyl)-2-oxoethyl]-4H-chromene-3-carbonitrile | 1428871-72-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-amino-4-[2-(4-fluorophenyl)-2-oxoethyl]-4H-chromene-3-carbonitrile
• 英文别名: 2-Amino-4-(2-(4-fluorophenyl)-2-oxoethyl)-4h-chromene-3-carbonitrile
• CAS: 1428871-72-0
• 化学式: C₁₈H₁₃FN₂O₂
• 分子量: 308.312
• InChiKey: NEEWQRYXBWOEIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  76.11
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one 、 丙二腈 在 碳酸氢钠 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以89%的产率得到2-amino-4-[2-(4-fluorophenyl)-2-oxoethyl]-4H-chromene-3-carbonitrile
  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

• An unusual and facile N-hetero cyclisation of 2-amino-4-(2-oxo-2-arylethyl)-4H-chromene-3-carbonitrile derivatives using hypervalent iodine in alcohol under ambient condition
  作者：Sourav Mal、Manoranjan Jana

  DOI：10.1016/j.tetlet.2020.152355

  日期：2020.10

  A very important functionalized benzopyran moiety has been further functionalized along with an unusual N-heterocyclic ring formation in a single step under ambient condition in room temperature under the influence of hypervalent iodine to produce a structurally interesting motif which can have some interesting biological properties having a similar but modified structure as that of bio-active chromene moieties. (C) 2020 Elsevier Ltd. All rights reserved.
• Facile and straightforward synthesis of the racemic version of 2-amino-4H-chromene-3-carbonitriles using K2HPO4 as an eco-friendly base
  作者：Sourav Mal、Manoranjan Jana

  DOI：10.1016/j.jics.2021.100202

  日期：2021.11