2-(Di-morpholin-4-yl-methyl)-6-nitro-phenol | 183364-35-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(Di-morpholin-4-yl-methyl)-6-nitro-phenol
• 英文别名: 2-(Dimorpholin-4-ylmethyl)-6-nitrophenol
• CAS: 183364-35-4
• 化学式: C₁₅H₂₁N₃O₅
• 分子量: 323.349
• InChiKey: VXNUSNGSJIPSDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  91
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  丙炔酸甲酯 、 2-(Di-morpholin-4-yl-methyl)-6-nitro-phenol 以86%的产率得到3-methoxycarbonyl-2-morpholino-8-nitro-2H-chromene
  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
• 作为产物：
  描述：

  吗啉 、 3-硝基水杨醛 以 异丙醇 为溶剂， 以68%的产率得到2-(Di-morpholin-4-yl-methyl)-6-nitro-phenol
  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