4-[imino(morpholin-4-yl)methyl]-1-phenyl-1H-imidazol-5-amine | 1187665-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[imino(morpholin-4-yl)methyl]-1-phenyl-1H-imidazol-5-amine
• CAS: 1187665-73-1
• 化学式: C₁₄H₁₇N₅O
• 分子量: 271.322
• InChiKey: WYIJSJDUFFLBNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  80.16
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-[imino(morpholin-4-yl)methyl]-1-phenyl-1H-imidazol-5-amine 、 3,4-二羟基苯甲醛 在 三乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 720.0h， 以33%的产率得到4-(6-morpholino-9-phenyl-9H-purin-2-yl)benzene-1,2-diol
  参考文献：
  名称：

  Synthesis and in vitro activity of 6-amino-2,9-diarylpurines for Mycobacterium tuberculosis

  摘要：

  A mild method was developed to synthesize 6-amino-2-phenolic-9-alkyl and 9-arylpurines. The new compounds were screened for antibacterial activity against Mycobacterium tuberculosis strain H(37)Rv. The 9-tolyl derivatives with a dimethylamino or a piperidine substituent in C6 and the 3-hydroxyphenyl or 4-hydroxyphenyl substituent in C2 were highly active against the bacilli. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.06.065
• 作为产物：
  描述：

  吗啉 、 [5-amino-1-phenyl-1H-imidazol-4-yl](imino)acetonitrile 以 乙腈 为溶剂， 反应 5.0h， 以78%的产率得到4-[imino(morpholin-4-yl)methyl]-1-phenyl-1H-imidazol-5-amine
  参考文献：
  名称：

  Synthesis and in vitro activity of 6-amino-2,9-diarylpurines for Mycobacterium tuberculosis

  摘要：

  A mild method was developed to synthesize 6-amino-2-phenolic-9-alkyl and 9-arylpurines. The new compounds were screened for antibacterial activity against Mycobacterium tuberculosis strain H(37)Rv. The 9-tolyl derivatives with a dimethylamino or a piperidine substituent in C6 and the 3-hydroxyphenyl or 4-hydroxyphenyl substituent in C2 were highly active against the bacilli. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.06.065