2-(4-pentyloxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol | 1430823-23-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(4-pentyloxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
• CAS: 1430823-23-6
• 化学式: C₂₂H₂₂N₂O₃
• 分子量: 362.428
• InChiKey: KNDXLRDPVUPQAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.11
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  64.47
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  3-cyano-2-iminocoumarin 、 戊醇 、 水杨醛 在 zinc(II) chloride 作用下， 反应 8.0h， 以65%的产率得到2-(4-pentyloxy-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