3-(6-morpholino-9-p-tolyl-9H-purin-2-yl)phenol | 1187665-81-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(6-morpholino-9-p-tolyl-9H-purin-2-yl)phenol
• 英文别名: 3-[9-(4-Methylphenyl)-6-morpholin-4-ylpurin-2-yl]phenol
• CAS: 1187665-81-1
• 化学式: C₂₂H₂₁N₅O₂
• 分子量: 387.441
• InChiKey: PXJYIMSYLGGSDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-[imino(morpholin-4-yl)methyl]-1-(p-tolyl)-1H-imidazol-5-amine 、 间羟基苯甲醛 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 624.0h， 以63%的产率得到3-(6-morpholino-9-p-tolyl-9H-purin-2-yl)phenol
  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

文献信息

• General Synthetic Approach to 2-Phenolic Adenine Derivatives
  作者：M. Carvalho、Carla Correia、Ashly Rocha、M. Proença

  DOI：10.1055/s-0031-1290694

  日期：2012.8

  A simple and general 'one-pot' procedure for the synthesis of 2,9-diarylpurines with one or multiple hydroxyl groups in the 2-aryl unit is described, from the reaction of 5-amino-4-amidinoimidazoles with phenolic aldehydes.