2-amino-3-[(2-aminophenyl)iminomethyl]-6-methyl-4H-chromen-4-one | 1246525-57-4

• 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-amino-3-[(2-aminophenyl)iminomethyl]-6-methyl-4H-chromen-4-one
• CAS: 1246525-57-4
• 化学式: C₁₇H₁₅N₃O₂
• 分子量: 293.325
• InChiKey: OXSNLVDQMVQQPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.02
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  94.61
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2-amino-3-[(2-aminophenyl)iminomethyl]-6-methyl-4H-chromen-4-one 在 溶剂黄146 作用下， 反应 3.0h， 以43%的产率得到3-(1H-benzimidazol-2-yl)-6-methyl-4H-chromen-4-one
  参考文献：
  名称：

  Reactivity of 3-formyl- and 3-cyanothiochromones toward some N- and C-nucleophiles. Novel synthesis of 3-substituted 2-aminothiochromones

  摘要：

  The reactions of 3-formylthiochromone with o-phenylenediamines, o-aminobenzenethiol, and indoles proceeded at the aldehyde group to give 3-(benzimidazol-2-yl)thiochromone, 3-(benzothiazol-2-yl) thiochromone. and 3-di(indol-3-yl)methylthiochromones, respectively. 3-Formyl- and 3-cyanothiochromones react with primary aromatic amines and phenylhydrazine to give the corresponding anils and phenylhydrazones of 3-formyl- and 2-amino-3-formylthiochromones. The reaction of 3-cyanochromones with o-phenylenediamines gave 2-amino-3-[(2-aminophenyl)iminomethyl]-4H-chromen-4-ones. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2010.06.066
• 作为产物：
  描述：

  邻苯二胺 、 2-Amino-6-methyl-4-oxo-4H-chromene-3-carbonitrile 在 三乙胺 作用下， 以 苯 为溶剂， 以38%的产率得到2-amino-3-[(2-aminophenyl)iminomethyl]-6-methyl-4H-chromen-4-one
  参考文献：
  名称：

  Reactivity of 3-formyl- and 3-cyanothiochromones toward some N- and C-nucleophiles. Novel synthesis of 3-substituted 2-aminothiochromones

  摘要：

  The reactions of 3-formylthiochromone with o-phenylenediamines, o-aminobenzenethiol, and indoles proceeded at the aldehyde group to give 3-(benzimidazol-2-yl)thiochromone, 3-(benzothiazol-2-yl) thiochromone. and 3-di(indol-3-yl)methylthiochromones, respectively. 3-Formyl- and 3-cyanothiochromones react with primary aromatic amines and phenylhydrazine to give the corresponding anils and phenylhydrazones of 3-formyl- and 2-amino-3-formylthiochromones. The reaction of 3-cyanochromones with o-phenylenediamines gave 2-amino-3-[(2-aminophenyl)iminomethyl]-4H-chromen-4-ones. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2010.06.066