4-aminomethyl-2,5-dimethylfuran-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 4-aminomethyl-2,5-dimethylfuran-3-carboxylic acid
• 英文别名: 4-(Azaniumylmethyl)-2,5-dimethylfuran-3-carboxylate
• 化学式: C₈H₁₁NO₃
• mdl: MFCD03409249
• 分子量: 169.18
• InChiKey: YOCHMFNEBPNGTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  76.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-aminomethyl-2,5-dimethylfuran-3-carboxylic acid 、 2-乙酰基-4-戊酮酸乙酯 在 溶剂黄146 作用下， 反应 7.0h， 以69%的产率得到4-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-ylmethyl]-2,5-dimethylfuran-3-carboxylic acid
  参考文献：
  名称：

  Aminomethyl derivatives of furancarboxylic acids in the Paal-Knorr reaction

  摘要：

  Aminomethyl derivatives of furancarboxylic acids react with 1,4-dicarbonyl compounds under Paal-Knorr reaction conditions to form the pyrrole rin-L,. It is found that alpha-aminomethyl derivatives of furan-carboxylic acids react faster than their beta analogs. The carboxy group adjacent to the aminomethyl fragment decelerates the process.

  DOI：

  10.1134/s1070363207050180

文献信息

• TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3016951B1

  公开（公告）日：2017-05-31
• Aminomethyl derivatives of furancarboxylic acids in the Paal-Knorr reaction
  作者：I. M. Lapina、L. M. Pevzner、A. A. Potekhin

  DOI：10.1134/s1070363207050180

  日期：2007.5

  Aminomethyl derivatives of furancarboxylic acids react with 1,4-dicarbonyl compounds under Paal-Knorr reaction conditions to form the pyrrole rin-L,. It is found that alpha-aminomethyl derivatives of furan-carboxylic acids react faster than their beta analogs. The carboxy group adjacent to the aminomethyl fragment decelerates the process.