4-(1H-imidazol-1-yl)-3-methylbenzonitrile | 1079394-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(1H-imidazol-1-yl)-3-methylbenzonitrile
• 英文别名: 4-Imidazol-1-yl-3-methylbenzonitrile
• CAS: 1079394-93-6
• 化学式: C₁₁H₉N₃
• 分子量: 183.213
• InChiKey: RZSHETAULWNNIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  咪唑 、 4-溴-3-甲基苯甲腈 在 copper(l) iodide 、 potassium carbonate 、 全氨基倍他环糊精 作用下， 以 二甲基亚砜 为溶剂， 反应 18.0h， 以85%的产率得到4-(1H-imidazol-1-yl)-3-methylbenzonitrile
  参考文献：
  名称：

  Per-6-amino-β-cyclodextrin as an Efficient Supramolecular Ligand and Host for Cu(I)-Catalyzed N-Arylation of Imidazole with Aryl Bromides

  摘要：

  Per-6-amino-beta-cyclodextrin (per-6-ABCD), acting simultaneously as a supramolecular ligand for CuI and host for aryl bromides, catalyzes N-arylation of imidazole with aryl bromides under mild conditions. This simple method proceeds with excellent yield for the coupling of imidazole with various substituted aryl bromides demonstrating good tolerance of other functionalities.

  DOI：

  10.1021/jo801811w

文献信息

• Per-6-amino-β-cyclodextrin as an Efficient Supramolecular Ligand and Host for Cu(I)-Catalyzed <i>N</i>-Arylation of Imidazole with Aryl Bromides
  作者：Palaniswamy Suresh、Kasi Pitchumani

  DOI：10.1021/jo801811w

  日期：2008.11.21

  Per-6-amino-beta-cyclodextrin (per-6-ABCD), acting simultaneously as a supramolecular ligand for CuI and host for aryl bromides, catalyzes N-arylation of imidazole with aryl bromides under mild conditions. This simple method proceeds with excellent yield for the coupling of imidazole with various substituted aryl bromides demonstrating good tolerance of other functionalities.