N,N'-bis<2-(4-fluorophenyl)ethyl>-5-iodoisophthalamide | 223397-00-0

• 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'-bis<2-(4-fluorophenyl)ethyl>-5-iodoisophthalamide
• 英文别名: 1-N,3-N-bis[2-(4-fluorophenyl)ethyl]-5-iodobenzene-1,3-dicarboxamide
• CAS: 223397-00-0
• 化学式: C₂₄H₂₁F₂IN₂O₂
• 分子量: 534.344
• InChiKey: JTGCXAWKDVWKFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-bis<2-(4-fluorophenyl)ethyl>-5-iodoisophthalamide 在 palladium on activated charcoal 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 、 5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
  参考文献：
  名称：

  Solution Phase Combinatorial Synthesis of Biaryl Libraries Employing Heterogeneous Conditions for Catalysis and Isolation with Size Exclusion Chromatography for Purification

  摘要：

  A convenient and effective approach to the solution phase synthesis of biaryl libraries from iodoarenes is described enlisting 10% Pd-C as an inexpensive and readily available supported catalyst. Isolation and purification of small library mixtures, individual library members, and intermediates in the multistep sequence by a combination of liquid-liquid and liquid-solid extractions and size exclusion chromatography are detailed.

  DOI：

  10.1021/jo982234v
• 作为产物：
  描述：

  5-碘间苯二甲酸 在 氯化亚砜 、 N,N-二异丙基乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 4.0h， 生成 N,N'-bis<2-(4-fluorophenyl)ethyl>-5-iodoisophthalamide
  参考文献：
  名称：

  Solution Phase Combinatorial Synthesis of Biaryl Libraries Employing Heterogeneous Conditions for Catalysis and Isolation with Size Exclusion Chromatography for Purification

  摘要：

  A convenient and effective approach to the solution phase synthesis of biaryl libraries from iodoarenes is described enlisting 10% Pd-C as an inexpensive and readily available supported catalyst. Isolation and purification of small library mixtures, individual library members, and intermediates in the multistep sequence by a combination of liquid-liquid and liquid-solid extractions and size exclusion chromatography are detailed.

  DOI：

  10.1021/jo982234v