N-(amino(4-bromophenyl)methylene)-2-(p-tolyl)-5-(p-tolylamino)oxazole-4-carboximidamide | 1238817-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(amino(4-bromophenyl)methylene)-2-(p-tolyl)-5-(p-tolylamino)oxazole-4-carboximidamide
• CAS: 1238817-33-8
• 化学式: C₂₅H₂₂BrN₅O
• 分子量: 488.387
• InChiKey: WXFIXIYSSZVLRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  100.29
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(amino(4-bromophenyl)methylene)-2-(p-tolyl)-5-(p-tolylamino)oxazole-4-carboximidamide 在 溶剂黄146 作用下， 反应 2.0h， 以88%的产率得到N-(4-amino-2-(4-bromophenyl)-6-oxo-1-(p-tolyl)-1,6-dihydropyrimidin-5-yl)-4-methylbenzamide
  参考文献：
  名称：

  Recyclization of the products of amidine addition to the substituted 5-amino-4-cyano-1,3-oxazole into new derivatives of 5,6-Diaminopyrimidin-4-one

  摘要：

  The products of addition of amidines to accessible 5-arylamino-4-cyano-1,3-oxazoles at heating in acetic acid undergo recyclization and afford new derivatives of 6-amino-5-acylaminopyrimidin-4-one, whose structure was reliably established using X-ray diffraction studies.

  DOI：

  10.1134/s1070363210050233
• 作为产物：
  描述：

  4-溴苄脒 、 2-(4-Methylphenyl)-5-[(4-methylphenyl)amino]-1,3-oxazole-4-carbonitrile 以 乙醇 为溶剂， 反应 4.0h， 以73%的产率得到N-(amino(4-bromophenyl)methylene)-2-(p-tolyl)-5-(p-tolylamino)oxazole-4-carboximidamide
  参考文献：
  名称：

  Recyclization of the products of amidine addition to the substituted 5-amino-4-cyano-1,3-oxazole into new derivatives of 5,6-Diaminopyrimidin-4-one

  摘要：

  The products of addition of amidines to accessible 5-arylamino-4-cyano-1,3-oxazoles at heating in acetic acid undergo recyclization and afford new derivatives of 6-amino-5-acylaminopyrimidin-4-one, whose structure was reliably established using X-ray diffraction studies.

  DOI：

  10.1134/s1070363210050233