ethyl N'-[5-(methylcarbamoyl)-1H-imidazol-4-yl]-N-phenylcarbamimidothioate | 385795-16-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl N'-[5-(methylcarbamoyl)-1H-imidazol-4-yl]-N-phenylcarbamimidothioate
• CAS: 385795-16-4
• 化学式: C₁₄H₁₇N₅OS
• 分子量: 303.388
• InChiKey: GXWNFBKVQHVSBN-UHFFFAOYSA-N

物化性质

• 熔点：
  209-210 °C
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  C.I.酸性橙108 、 ethyl N'-[5-(methylcarbamoyl)-1H-imidazol-4-yl]-N-phenylcarbamimidothioate 以 乙醇 为溶剂， 反应 6.0h， 以52%的产率得到4-[[N'-(2-hydroxyethyl)-N-phenylcarbamimidoyl]amino]-N-methyl-1H-imidazole-5-carboxamide
  参考文献：
  名称：

  摘要：

  The reaction of ethyl 5-phenylthioureido-3H-imidazole-4-carboxylate with bromoacetic acid afforded (imidazolylimino)thiazolidinones, which were transformed into the corresponding 5-arylidene-4-thiazolidinones by the reactions with aldehydes. Under the conditions of the Knoevenagel reaction, the thiazolidine ring in derivatives of 4-(4-oxothiazolidin-2-ylidene-amino)-3H-imidazole-4-carboxamides was opened to form substituted guanidines.

  DOI：

  10.1023/a:1023439706631
• 作为产物：
  描述：

  碘乙烷 、 N-methyl-5-(3-phenylthioureido)-3H-imidazole-4-carboxamide 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 以88%的产率得到ethyl N'-[5-(methylcarbamoyl)-1H-imidazol-4-yl]-N-phenylcarbamimidothioate
  参考文献：
  名称：

  摘要：

  The reaction of ethyl 5-phenylthioureido-3H-imidazole-4-carboxylate with bromoacetic acid afforded (imidazolylimino)thiazolidinones, which were transformed into the corresponding 5-arylidene-4-thiazolidinones by the reactions with aldehydes. Under the conditions of the Knoevenagel reaction, the thiazolidine ring in derivatives of 4-(4-oxothiazolidin-2-ylidene-amino)-3H-imidazole-4-carboxamides was opened to form substituted guanidines.

  DOI：

  10.1023/a:1023439706631

文献信息

• ——
  作者：O. S. El""tsov

  DOI：10.1023/a:1023439706631

  日期：——

  The reaction of ethyl 5-phenylthioureido-3H-imidazole-4-carboxylate with bromoacetic acid afforded (imidazolylimino)thiazolidinones, which were transformed into the corresponding 5-arylidene-4-thiazolidinones by the reactions with aldehydes. Under the conditions of the Knoevenagel reaction, the thiazolidine ring in derivatives of 4-(4-oxothiazolidin-2-ylidene-amino)-3H-imidazole-4-carboxamides was opened to form substituted guanidines.