N,N'-di-(4-bromo-3-fluoro-phenyl) guanidine | 1216902-41-8

• 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: N,N'-di-(4-bromo-3-fluoro-phenyl) guanidine
• 英文别名: p-Br-m-FDPhG；1,2-Bis(4-bromo-3-fluorophenyl)guanidine；1,2-bis(4-bromo-3-fluorophenyl)guanidine
• CAS: 1216902-41-8
• 化学式: C₁₃H₉Br₂F₂N₃
• 分子量: 405.039
• InChiKey: SRRKLLOFTBEMAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  硝酸胍 、 1-溴-2-氟-4-碘苯 在 potassium phosphate 、 copper(l) iodide 、 N,N-二乙基水杨酰胺 作用下， 以 甲苯 为溶剂， 以55%的产率得到N,N'-di-(4-bromo-3-fluoro-phenyl) guanidine
  参考文献：
  名称：

  Copper-Catalyzed Guanidinylation of Aryl Iodides: The Formation of N,N′-Disubstituted Guanidines

  摘要：

  A copper-catalyzed cross-coupling reaction of guanidine nitrate with aryl iodides was used for the formation of N,N'-disubstituted guanidines to be used as potential therapeutics for strokes. A relatively inexpensive commercially available guanidine salt and a series of aryl iodides together with copper iodide and N,N-diethylsalicylamide as an efficient catalyst/ligand system provided a simple diarylation procedure.

  DOI：

  10.1021/ol1002175

文献信息

• Copper-Catalyzed Guanidinylation of Aryl Iodides: The Formation of <i>N,N′</i>-Disubstituted Guanidines
  作者：Michelle Cortes-Salva、Be-Lan Nguyen、Javier Cuevas、Keith R. Pennypacker、Jon C. Antilla

  DOI：10.1021/ol1002175

  日期：2010.3.19

  A copper-catalyzed cross-coupling reaction of guanidine nitrate with aryl iodides was used for the formation of N,N'-disubstituted guanidines to be used as potential therapeutics for strokes. A relatively inexpensive commercially available guanidine salt and a series of aryl iodides together with copper iodide and N,N-diethylsalicylamide as an efficient catalyst/ligand system provided a simple diarylation procedure.