(E)-2-amino-1-methyl-4-(2-nitrobenzylidene)-2-imidazolin-5-one | 213600-80-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (E)-2-amino-1-methyl-4-(2-nitrobenzylidene)-2-imidazolin-5-one
• 英文别名: (5E)-2-amino-3-methyl-5-[(2-nitrophenyl)methylidene]imidazol-4-one
• CAS: 213600-80-7
• 化学式: C₁₁H₁₀N₄O₃
• 分子量: 246.225
• InChiKey: FAGYOGCCDPTMJX-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-2-amino-1-methyl-4-(2-nitrobenzylidene)-2-imidazolin-5-one 在 镍 氢气 作用下， 以 甲醇 为溶剂， 生成 2-Amino-5-[1-(2-amino-phenyl)-meth-(E)-ylidene]-3-methyl-3,5-dihydro-imidazol-4-one
  参考文献：
  名称：

  Synthesis of Imidazonaphthyridines and -quinolines

  摘要：

  Four 2-amino-3-methylimidazo[4,5-b][1,x]naphthyridines, x = 5-8 (6-9) have been obtained from aromatic aldehydes (11-14) and 2-amino-1-methyl-2-imidazolin-5-one (15) in one step. The N-1 - and N-3 -methyl isomers of 2-aminoimidazo-[4,5-b]quinoline (5 and 10) were prepared from 2-nitrobenzaldehyde via the isolated E-isomers of imidazolin-5-one (17) and imidazolin-4-one (20).

  DOI：

  10.3987/com-98-8187
• 作为产物：
  描述：

  isocreatinine 、 邻硝基苯甲醛 以 溶剂黄146 为溶剂， 反应 1.0h， 以5%的产率得到(E)-2-amino-1-methyl-4-(2-nitrobenzylidene)-2-imidazolin-5-one
  参考文献：
  名称：

  Synthesis of Imidazonaphthyridines and -quinolines

  摘要：

  Four 2-amino-3-methylimidazo[4,5-b][1,x]naphthyridines, x = 5-8 (6-9) have been obtained from aromatic aldehydes (11-14) and 2-amino-1-methyl-2-imidazolin-5-one (15) in one step. The N-1 - and N-3 -methyl isomers of 2-aminoimidazo-[4,5-b]quinoline (5 and 10) were prepared from 2-nitrobenzaldehyde via the isolated E-isomers of imidazolin-5-one (17) and imidazolin-4-one (20).

  DOI：

  10.3987/com-98-8187

文献信息

• Synthesis of Imidazonaphthyridines and -quinolines
  作者：Spiros Grivas、Peter Schuisky

  DOI：10.3987/com-98-8187

  日期：——

  Four 2-amino-3-methylimidazo[4,5-b][1,x]naphthyridines, x = 5-8 (6-9) have been obtained from aromatic aldehydes (11-14) and 2-amino-1-methyl-2-imidazolin-5-one (15) in one step. The N-1 - and N-3 -methyl isomers of 2-aminoimidazo-[4,5-b]quinoline (5 and 10) were prepared from 2-nitrobenzaldehyde via the isolated E-isomers of imidazolin-5-one (17) and imidazolin-4-one (20).