3-(2-chloroethylureido)thiophene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-(2-chloroethylureido)thiophene-2-carboxylic acid
• 英文别名: 3-(2-Chloroethylcarbamoylamino)thiophene-2-carboxylic acid
• 化学式: C₈H₉ClN₂O₃S
• 分子量: 248.69
• InChiKey: POVCKHKFCBSJPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-氨基-2-噻吩甲酸甲酯 在 氢氧化钾 、 三乙胺 作用下， 反应 2.5h， 生成 3-(2-chloroethylureido)thiophene-2-carboxylic acid
  参考文献：
  名称：

  Thiaisatoic anhydrides: Efficient synthesis under microwave heating conditions and study of their reactivity

  摘要：

  2-thiaisatoic anhydride 1 and 3-thiaisatoic anhydride 2 were synthesized in large scale under microwave heating conditions with 85% and 67% yields respectively. The reactivity of these two compounds was studied towards various nucleophiles and appeared to be generally different from that of isatoic anhydride : many new thiophene-2 and 3-carboxylic acids were isolated with good yields as potential new pharmacological scaffolds. (C) 1998 Elsevier Science Ltd. AU rights reserved.

  DOI：

  10.1016/s0040-4020(98)00636-x

文献信息

• Thiaisatoic anhydrides: Efficient synthesis under microwave heating conditions and study of their reactivity
  作者：Fréderic Fabis、Sandrine Jolivet-Fouchet、Max Robba、Henriette Landelle、Sylvain Rault

  DOI：10.1016/s0040-4020(98)00636-x

  日期：1998.9

  2-thiaisatoic anhydride 1 and 3-thiaisatoic anhydride 2 were synthesized in large scale under microwave heating conditions with 85% and 67% yields respectively. The reactivity of these two compounds was studied towards various nucleophiles and appeared to be generally different from that of isatoic anhydride : many new thiophene-2 and 3-carboxylic acids were isolated with good yields as potential new pharmacological scaffolds. (C) 1998 Elsevier Science Ltd. AU rights reserved.