2-Methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-propan-1-one | 183364-37-6

• 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-Methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-propan-1-one
• 英文别名: 2-methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)propan-1-one
• CAS: 183364-37-6
• 化学式: C₁₇H₂₀N₂O₅
• 分子量: 332.356
• InChiKey: FQFOANNTVMYKIM-UHFFFAOYSA-N

物化性质

• 沸点：
  508.9±50.0 °C(Predicted)
• 密度：
  1.291±0.06 g/cm3(Predicted)
• 溶解度：
  2.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  84.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲基-1-戊炔-3-酮 、 2-(dimorpholinomethyl)-4-nitrophenol 以49%的产率得到2-Methyl-1-(2-morpholin-4-yl-6-nitro-2H-chromen-3-yl)-propan-1-one
  参考文献：
  名称：

  Formation of benzofuran and 2H-chromene structures in one reaction. A novel synthesis of 2H-chromene derivatives

  摘要：

  Heating the morpholinal of nitrosalicylic aldehyde with methyl propiolate in acetonitrile in the presence of CuI affords an equimolar mixture of 2-methoxycarbonylmethyl-3-morpholino-5-nitrobenzofuran and 3-methoxycarbonyl-2-morpholino-6-nitro-2H-chromene, the structures of which were determined by X-ray analysis. Only the 2H-chromene mentioned above was obtained in the absence of CuI and solvent.

  DOI：

  10.1007/bf01431612