3-<(3-nitro-2-pyridinyl)amino>cyclohex-2-en-1-one | 227943-68-2

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 3-<(3-nitro-2-pyridinyl)amino>cyclohex-2-en-1-one
• 英文别名: 3-[(3-Nitropyridin-2-yl)amino]cyclohex-2-en-1-one
• CAS: 227943-68-2
• 化学式: C₁₁H₁₁N₃O₃
• 分子量: 233.227
• InChiKey: ZWLLOUPMVITNJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  87.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-<(3-nitro-2-pyridinyl)amino>cyclohex-2-en-1-one 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以96%的产率得到3-<(3-amino-2-pyridinyl)amino>cyclohex-2-en-1-one
  参考文献：
  名称：

  Reactivity of Heterocyclic Enaminones: Regioselective Synthesis of Some Pyridobenzodiazepines and Imidazopyridines

  摘要：

  Reactivity of enaminones derived from various diaminopyridines toward electrophilic carbons (imines, carbodiimides, isocyanates) is reported. The reactions leading to diazepinic or imidazolic ring systems are shown to be dependent of the electrophilic species as well as of the position of the nitrogen atom in the heterocyclic ring.

  DOI：

  10.3987/com-98-8466
• 作为产物：
  描述：

  2-氨基-3-硝基吡啶 、 1,3-环己二酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 以41%的产率得到3-<(3-nitro-2-pyridinyl)amino>cyclohex-2-en-1-one
  参考文献：
  名称：

  Reactivity of Heterocyclic Enaminones: Regioselective Synthesis of Some Pyridobenzodiazepines and Imidazopyridines

  摘要：

  Reactivity of enaminones derived from various diaminopyridines toward electrophilic carbons (imines, carbodiimides, isocyanates) is reported. The reactions leading to diazepinic or imidazolic ring systems are shown to be dependent of the electrophilic species as well as of the position of the nitrogen atom in the heterocyclic ring.

  DOI：

  10.3987/com-98-8466

文献信息

• Reactivity of Heterocyclic Enaminones: Regioselective Synthesis of Some Pyridobenzodiazepines and Imidazopyridines
  作者：Yves Blache、Mohammed Hichour、Genoveffa Di Blasi、Jean-Michel Chezal、Henri Viols、Olivier Chavignon、Jean-Claude Teulade、Jean-Pierre Chapat

  DOI：10.3987/com-98-8466

  日期：——

  Reactivity of enaminones derived from various diaminopyridines toward electrophilic carbons (imines, carbodiimides, isocyanates) is reported. The reactions leading to diazepinic or imidazolic ring systems are shown to be dependent of the electrophilic species as well as of the position of the nitrogen atom in the heterocyclic ring.