4a-benzylamino-7-nitro-2,3,4,4a-tetrahydro-1H-xanthene

• 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: 4a-benzylamino-7-nitro-2,3,4,4a-tetrahydro-1H-xanthene
• 英文别名: N-benzyl-7-nitro-1,2,3,4-tetrahydro-4aH-xanthen-4a-amine；N-benzyl-7-nitro-1,2,3,4-tetrahydroxanthen-4a-amine
• 化学式: C₂₀H₂₀N₂O₃
• 分子量: 336.39
• InChiKey: UTPFNWORGGINAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  67.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-硝基水杨醛 以 异丙醇 为溶剂， 反应 0.03h， 生成 4a-benzylamino-7-nitro-2,3,4,4a-tetrahydro-1H-xanthene
  参考文献：
  名称：

  摘要：

  The reactions of aminals, the Mannich bases, and azomethines derived from substituted salicylaldehydes were studied. Derivatives of tetrahydrocyclopenta[b]- and hexahydro-cyclohepta[b]chromenes and substituted 2,2'-spirobichromenes were prepared from aminals, and substituted hexahydroxanthenes were synthesized from the Mannich bases. Azomethine derivatives of 5-nitrosalicylaldehyde and aliphatic amines react with cyclohexanone to form 4a-amino-7-nitro-2,3,4,4a-tetrahydro-1H-xanthenes. 4a-Morpholino-7-nitro-9-phenylethynyl-1,2,3,4,9,9a-hexahydroxanthene was studied by X-ray diffraction analysis.

  DOI：

  10.1023/a:1020956614588