N-isopropyl-N'-(p-tolyl)benzimidamide | 1410809-28-7

• 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-isopropyl-N'-(p-tolyl)benzimidamide
• 英文别名: N-(4-methylphenyl)-N'-propan-2-ylbenzenecarboximidamide
• CAS: 1410809-28-7
• 化学式: C₁₇H₂₀N₂
• 分子量: 252.359
• InChiKey: OUKITLOFADKSIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  24.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  异丙基硼酸 、 4-甲苯硼酸 、 苯甲脒 在 copper(II) acetate monohydrate 、 特戊酸钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以81%的产率得到N-isopropyl-N'-(p-tolyl)benzimidamide
  参考文献：
  名称：

  Copper Catalyzed N-Arylation of Amidines with Aryl Boronic Acids and One-Pot Synthesis of Benzimidazoles by a Chan–Lam–Evans N-Arylation and C–H Activation/C–N Bond Forming Process

  摘要：

  Mono-N-arylation of benzamidines 1 with aryl boronic acids 2 was effectively achieved in the presence of a catalytic amount of Cu(OAc)(2) and NaOPiv under mild aerobic conditions. Combining this step with an intramolecular direct C-H bond functionalization, catalyzed by the same catalytic system but under oxygen at 120 degrees C, afforded benzimidazoles 3 in good to excellent yields.

  DOI：

  10.1021/ol3028847

文献信息

• Copper Catalyzed N-Arylation of Amidines with Aryl Boronic Acids and One-Pot Synthesis of Benzimidazoles by a Chan–Lam–Evans N-Arylation and C–H Activation/C–N Bond Forming Process
  作者：Jihui Li、Sébastien Bénard、Luc Neuville、Jieping Zhu

  DOI：10.1021/ol3028847

  日期：2012.12.7

  Mono-N-arylation of benzamidines 1 with aryl boronic acids 2 was effectively achieved in the presence of a catalytic amount of Cu(OAc)(2) and NaOPiv under mild aerobic conditions. Combining this step with an intramolecular direct C-H bond functionalization, catalyzed by the same catalytic system but under oxygen at 120 degrees C, afforded benzimidazoles 3 in good to excellent yields.