Ethyl 4-{[(2-iodophenyl)carbamoyl]amino}benzoate | 708215-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Ethyl 4-{[(2-iodophenyl)carbamoyl]amino}benzoate
• 英文别名: ethyl 4-[(2-iodophenyl)carbamoylamino]benzoate
• CAS: 708215-21-8
• 化学式: C₁₆H₁₅IN₂O₃
• mdl: MFCD05990742
• 分子量: 410.211
• InChiKey: ROAVKPOVSKPRBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Ethyl 4-{[(2-iodophenyl)carbamoyl]amino}benzoate 在 copper(l) iodide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二甲基亚砜 为溶剂， 反应 0.33h， 以81%的产率得到ethyl-4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)benzoate
  参考文献：
  名称：

  Copper-Catalyzed Intramolecular Cyclization to N-Substituted 1,3-Dihydrobenzimidazol-2-ones

  摘要：

  An efficient and convenient method was developed for preparing N-substituted 1,3-dihydrobenzimidazol-2-ones from N'-substituted N-(2-halophenyl)ureas via a Cul/DBU-catalyzed cyclization in DMSO under microwave heating. High yields were obtained and a variety of functional groups were tolerated under these conditions, including N'-aryl, alkyl, heterocyclic, various N-(substituted 2-halophenyl) and N-(2-iodopyridyl)ureas.

  DOI：

  10.1021/ol8011106

文献信息

• Copper-Catalyzed Intramolecular Cyclization to N-Substituted 1,3-Dihydrobenzimidazol-2-ones
  作者：Zhaoguang Li、Hongbin Sun、Hualiang Jiang、Hong Liu

  DOI：10.1021/ol8011106

  日期：2008.8.7

  An efficient and convenient method was developed for preparing N-substituted 1,3-dihydrobenzimidazol-2-ones from N'-substituted N-(2-halophenyl)ureas via a Cul/DBU-catalyzed cyclization in DMSO under microwave heating. High yields were obtained and a variety of functional groups were tolerated under these conditions, including N'-aryl, alkyl, heterocyclic, various N-(substituted 2-halophenyl) and N-(2-iodopyridyl)ureas.