N-(4-methoxyphenyl)-N'-methylpyrimido[5,4-d]pyrimidine-,8-diamine | 1187086-07-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-methoxyphenyl)-N'-methylpyrimido[5,4-d]pyrimidine-,8-diamine
• 英文别名: 4-N-(4-methoxyphenyl)-8-N-methylpyrimido[5,4-d]pyrimidine-4,8-diamine
• CAS: 1187086-07-2
• 化学式: C₁₄H₁₄N₆O
• 分子量: 282.305
• InChiKey: NGADIPXGLDYCQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  84.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  盐酸甲胺 、 6-cyano-9-(4-methoxyphenyl)-9H-purine 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以60%的产率得到N-(4-methoxyphenyl)-N'-methylpyrimido[5,4-d]pyrimidine-,8-diamine
  参考文献：
  名称：

  Reactions of 9-Aryl-6-cyanopurines with Primary Amines

  摘要：

  Two structural isomers (9-aryl-6-cyanopurines and imidazole-4,5-dicarbonitriles) were isolated from the reaction of (Z)-Nl-aryl-N2-(2-amino-l,2-dicyanovinyl)formamidines with triethyl orthoacetate or propionate. On the other hand, 9-aryl-6-cyanopurines were the only product, when triethyl orthoformate was used. The reaction of 9-aryl-6-cyanopurines with hydroxylamine hydrochloride in dichloromethane/ethanol at room temperature furnished 6-amidinopurines, while reaction with primary amines afforded pyrimido[5,4-d]pyrimidines. In addition, 9-aryl-6-cyanopurines reacted with hydrazine monohydrate under mild conditions to give 4-imino-N8-arylpyrimido[5,4-d]pyrimidines. The latter furnished novel pyrimido[4,5-e][1,2,4]triazolo[1,5-c]pyrimidines when refluxed with an excess of triethyl orthoesters. The new compounds were fully characterized and single crystal X-ray analyses have been carried out on 9-(4-methoxyphenyl)-9H-purine-6-carboximidamide and 2-methyl1-[(E)-p-tolyliminomethyl]-1H-imidazole-4,5-dicarbonitrile.

  DOI：

  10.3987/com-09-11713

文献信息

• Reactions of 9-Aryl-6-cyanopurines with Primary Amines
  作者：Amal Al-Azmi、K. Anita Kumari

  DOI：10.3987/com-09-11713

  日期：——

  Two structural isomers (9-aryl-6-cyanopurines and imidazole-4,5-dicarbonitriles) were isolated from the reaction of (Z)-Nl-aryl-N2-(2-amino-l,2-dicyanovinyl)formamidines with triethyl orthoacetate or propionate. On the other hand, 9-aryl-6-cyanopurines were the only product, when triethyl orthoformate was used. The reaction of 9-aryl-6-cyanopurines with hydroxylamine hydrochloride in dichloromethane/ethanol at room temperature furnished 6-amidinopurines, while reaction with primary amines afforded pyrimido[5,4-d]pyrimidines. In addition, 9-aryl-6-cyanopurines reacted with hydrazine monohydrate under mild conditions to give 4-imino-N8-arylpyrimido[5,4-d]pyrimidines. The latter furnished novel pyrimido[4,5-e][1,2,4]triazolo[1,5-c]pyrimidines when refluxed with an excess of triethyl orthoesters. The new compounds were fully characterized and single crystal X-ray analyses have been carried out on 9-(4-methoxyphenyl)-9H-purine-6-carboximidamide and 2-methyl1-[(E)-p-tolyliminomethyl]-1H-imidazole-4,5-dicarbonitrile.