2-(4-butoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol | 1430823-16-7

• 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-butoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
• 英文别名: 2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
• CAS: 1430823-16-7
• 化学式: C₁₉H₁₆N₂O₄
• 分子量: 336.347
• InChiKey: OEVMVYPPJNOTLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  73.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  邻香草醛 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 0.67h， 生成 2-(4-butoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
  参考文献：
  名称：

  Efficient and Ecofriendly Route for the Solvent-Free Synthesis of 4-Alkoxy-5H-chromen[2,3-d]pyrimidines Using Phosphonic Acid Functionalized KIT-6 Confined Ionic Liquid as Recoverable Catalyst

  摘要：

  DOI：

  10.1080/00397911.2014.916722

文献信息

• Novel Approaches for the Synthesis of a Library of Fluorescent Chromenopyrimidine Derivatives
  作者：Afsaneh Zonouzi、Fatemeh Hosseinzadeh、Nastaran Karimi、Roghieh Mirzazadeh、Seik Weng Ng

  DOI：10.1021/co300141j

  日期：2013.5.13

  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.