1-Methyl-5-imino-6-cyan-7,8-dicarbomethoxy-1,5-dihydro-1-aza-pyrrocolin | 19748-21-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 1-Methyl-5-imino-6-cyan-7,8-dicarbomethoxy-1,5-dihydro-1-aza-pyrrocolin
• 英文别名: 6-cyano-5-imino-1-methyl-1,5-dihydro-imidazo[1,2-a]pyridine-7,8-dicarboxylic acid dimethyl ester；Dimethyl 6-cyano-5-imino-1-methylimidazo[1,2-a]pyridine-7,8-dicarboxylate；dimethyl 6-cyano-5-imino-1-methylimidazo[1,2-a]pyridine-7,8-dicarboxylate
• CAS: 19748-21-1
• 化学式: C₁₃H₁₂N₄O₄
• 分子量: 288.263
• InChiKey: JKVOFWSFWXWGBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-methyl-imidazolium-3-dicyanomethanide 、 丁炔二酸二甲酯 生成 1-Methyl-5-imino-6-cyan-7,8-dicarbomethoxy-1,5-dihydro-1-aza-pyrrocolin
  参考文献：
  名称：

  Spirally twisted imidazolium iminyl ylide structures from 1,2-rearrangements in reactions of imidazolium dicyanomethanide 1,3-dipoles with maleic anhydride: new perspectives on the Boekelheide–Fedoruk ring expansions

  摘要：

  The reactions of 1-substituted-imidazolium-3-dicyanomethanides with maleic anhydride gave new ylide products from a Michael reaction and 1,2-rearrangements. These experiments, combined with theoretical calculations, provide an interesting new perspective on the Boekelheide-Fedoruk ring expansions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.06.089