N-adamantyl-2-[3-(trifluoromethyl)phenylamino]benzamide | 201349-94-2

• 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-adamantyl-2-[3-(trifluoromethyl)phenylamino]benzamide
• 英文别名: N-(1-adamantyl)-2-[3-(trifluoromethyl)anilino]benzamide
• CAS: 201349-94-2
• 化学式: C₂₄H₂₅F₃N₂O
• 分子量: 414.471
• InChiKey: AEBPYRSALMDWJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰氯 在 Cp*Ir(OAc)₂ 、 copper diacetate 、 三乙胺 、 双三氟甲烷磺酰亚胺银盐 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 8.0h， 生成 N-adamantyl-2-[3-(trifluoromethyl)phenylamino]benzamide
  参考文献：
  名称：

  Iridium-Catalyzed C–H Amination with Anilines at Room Temperature: Compatibility of Iridacycles with External Oxidants

  摘要：

  Described herein is the development of an iridium-catalyzed direct C-H amination of benzamides with anilines at room temperature, representing a unique example of an Ir catalyst system that is compatible with external oxidants. Mechanistic details, such as the isolation and characterization of key iridacycle intermediates, are also discussed.

  DOI：

  10.1021/ja502270y

文献信息

• Iridium-Catalyzed C–H Amination with Anilines at Room Temperature: Compatibility of Iridacycles with External Oxidants
  作者：Hyunwoo Kim、Kwangmin Shin、Sukbok Chang

  DOI：10.1021/ja502270y

  日期：2014.4.23

  Described herein is the development of an iridium-catalyzed direct C-H amination of benzamides with anilines at room temperature, representing a unique example of an Ir catalyst system that is compatible with external oxidants. Mechanistic details, such as the isolation and characterization of key iridacycle intermediates, are also discussed.