2-(4-(N-ethyl-N-phenylamino)-9-methoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol | 1430823-10-1

• 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-(N-ethyl-N-phenylamino)-9-methoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
• CAS: 1430823-10-1
• 化学式: C₂₆H₂₃N₃O₃
• 分子量: 425.487
• InChiKey: FMIRZCUQCKKLRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.71
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  67.71
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  水杨醛 、 2-imino-8-methoxy-2H-chromene-3-carbonitrile 、 N-乙基苯胺 在 copper(l) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以78%的产率得到2-(4-(N-ethyl-N-phenylamino)-9-methoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
  参考文献：
  名称：

  Novel Approaches for the Synthesis of a Library of Fluorescent Chromenopyrimidine Derivatives

  摘要：

  A library of some new fluorescent chromenopyrimidine derivatives has been synthesized by new approaches. Water-promoted and one-pot reaction can produce new dialkylylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl) phenols. These compounds can also be produced using domino reaction. Two parallel methods are compared. Novel N-alkyl-N-phenyl-5H-chromeno [2,3-d] -pyrimidin-4-amines and 4-alkoxy-5H-chromeno[2, 3-d]pyrimidines are synthesized by Lewis-acid catalyzed reactions. The fluorescence emission intensity of the four compounds from each of libraries after excitation in 290 nm is measured. Compound 2-(4,5-bis(N-methyl-N-phenylamino)-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol was isolated as a byproduct. The details of an interesting exchangeable intramolecular H-bonding of two of the new compounds are reported by X-ray analysis data.

  DOI：

  10.1021/co300141j