4-(2-甲氧基苯基)-N-(3-碘苯基)哌嗪-1-甲酰胺 | 1022603-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(2-甲氧基苯基)-N-(3-碘苯基)哌嗪-1-甲酰胺
• 英文名称: 4-(2-methoxyphenyl)-N-(3-iodophenyl)piperazine-1-carboxamide
• 英文别名: N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
• CAS: 1022603-89-9
• 化学式: C₁₈H₂₀IN₃O₂
• 分子量: 437.28
• InChiKey: GZTTZYXDSVMODF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2-甲氧苯基)哌嗪 、 3-碘苯异氰酸酯 以 丙酮 为溶剂， 反应 6.0h， 以95%的产率得到4-(2-甲氧基苯基)-N-(3-碘苯基)哌嗪-1-甲酰胺
  参考文献：
  名称：

  Fluorous Isocyanates: Convenient Synthons for the Preparation of Radioiodinated Compounds in High Effective Specific Activity

  摘要：

  A convenient method for the preparation of fluorous-tin isocyanate derivatives was developed from the corresponding acyl azides as a novel route to targeted radiopharmaceuticals that can be produced in high effective specific activity without having to resort to using HPLC. The isocyanates, which were stable for greater than 20 days when dissolved in fluorous solvents, were conjugated to a series of amines including lysine derivatives by using a variety of miscible and biphasic solvent systems where yields were consistently greater than 95%. The resulting ureas were radiolabeled with I-125 by using iodogen as the oxidant and the desired products were isolated in high radiochemical yield (> 87%) and purity by using a simple fluorous solid phase extraction procedure.

  DOI：

  10.1021/jo901475d

文献信息

• Fluorous Isocyanates: Convenient Synthons for the Preparation of Radioiodinated Compounds in High Effective Specific Activity
  作者：Amanda C. Donovan、John F. Valliant

  DOI：10.1021/jo901475d

  日期：2009.11.6

  A convenient method for the preparation of fluorous-tin isocyanate derivatives was developed from the corresponding acyl azides as a novel route to targeted radiopharmaceuticals that can be produced in high effective specific activity without having to resort to using HPLC. The isocyanates, which were stable for greater than 20 days when dissolved in fluorous solvents, were conjugated to a series of amines including lysine derivatives by using a variety of miscible and biphasic solvent systems where yields were consistently greater than 95%. The resulting ureas were radiolabeled with I-125 by using iodogen as the oxidant and the desired products were isolated in high radiochemical yield (> 87%) and purity by using a simple fluorous solid phase extraction procedure.