4-(1-benzyl-4,6-dimethyl-9-oxo-4,9-dihydro-1H-imidazo[1,2-a]purin-7-yl)-1(4H)-pyridinecarbonyl chloride | 501909-93-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 4-(1-benzyl-4,6-dimethyl-9-oxo-4,9-dihydro-1H-imidazo[1,2-a]purin-7-yl)-1(4H)-pyridinecarbonyl chloride
• 英文别名: 4-(1-benzyl-4,6-dimethyl-9-oxoimidazo[1,2-a]purin-7-yl)-4H-pyridine-1-carbonyl chloride
• CAS: 501909-93-9
• 化学式: C₂₂H₁₉ClN₆O₂
• 分子量: 434.885
• InChiKey: YKOWCGOBZIVEMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(1-benzyl-4,6-dimethyl-9-oxo-4,9-dihydro-1H-imidazo[1,2-a]purin-7-yl)-1(4H)-pyridinecarbonyl chloride 在 吡啶盐酸盐 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 1-benzyl-4,6-dimethyl-1,4-dihydro-imidazo[1,2-a]purin-9-one
  参考文献：
  名称：

  New Reactions of Phosgene with Tertiary Amines

  摘要：

  1-Benzylwye (3) underwent substitution at the 7-position in the presence of COCl2 and pyridine in THF to afford various products depending upon the post-treatment through 1,4-dihydropyridine (7) and carboxylic acid derivative (8). When Et3N was used instead of pyridine, it reacted with COCl2 to provide two enamines (18 and 19), together with diethylcarbamyl chloride (20), after treatment of the reaction mixture with MeOH.

  DOI：

  10.3987/com-97-s37
• 作为产物：
  描述：

  pyridiniumchlorocarbonyl chloride 以 四氢呋喃 为溶剂， 生成 4-(1-benzyl-4,6-dimethyl-9-oxo-4,9-dihydro-1H-imidazo[1,2-a]purin-7-yl)-1(4H)-pyridinecarbonyl chloride
  参考文献：
  名称：

  New Reactions of Phosgene with Tertiary Amines

  摘要：

  1-Benzylwye (3) underwent substitution at the 7-position in the presence of COCl2 and pyridine in THF to afford various products depending upon the post-treatment through 1,4-dihydropyridine (7) and carboxylic acid derivative (8). When Et3N was used instead of pyridine, it reacted with COCl2 to provide two enamines (18 and 19), together with diethylcarbamyl chloride (20), after treatment of the reaction mixture with MeOH.

  DOI：

  10.3987/com-97-s37

文献信息

• New Reactions of Phosgene with Tertiary Amines
  作者：Taisuke Itaya、Tae Kanai

  DOI：10.3987/com-97-s37

  日期：——

  1-Benzylwye (3) underwent substitution at the 7-position in the presence of COCl2 and pyridine in THF to afford various products depending upon the post-treatment through 1,4-dihydropyridine (7) and carboxylic acid derivative (8). When Et3N was used instead of pyridine, it reacted with COCl2 to provide two enamines (18 and 19), together with diethylcarbamyl chloride (20), after treatment of the reaction mixture with MeOH.