1-(benzo[1,3]dioxol-5-ylmethyl)-2-methylimidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(benzo[1,3]dioxol-5-ylmethyl)-2-methylimidazole
• 英文别名: 1-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-methyl-1H-imidazole；1-(1,3-benzodioxol-5-ylmethyl)-2-methylimidazole
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: LCHTVPSKRIQRRC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-甲基咪唑 、 在 copper acetylacetonate 、 四丁基溴化铵 作用下， 以 甲苯 为溶剂， 反应 36.0h， 以75%的产率得到1-(benzo[1,3]dioxol-5-ylmethyl)-2-methylimidazole
  参考文献：
  名称：

  Copper carbenoid mediated N-alkylation of imidazoles and its use in a novel synthesis of bifonazole

  摘要：

  1H-Imidazoles are readily N-alkylated by a Cu(acac)(2) mediated reaction with alpha-diazocarbonyl compounds or with diazoalkanes generated in situ from the corresponding p-toluensulfonyl hydrazones. The antifungal agent bifonazole was prepared by the latter method. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.08.009

文献信息

• Copper carbenoid mediated N-alkylation of imidazoles and its use in a novel synthesis of bifonazole
  作者：Erick Cuevas-Yañez、Juan Manuel Serrano、Gloria Huerta、Joseph M. Muchowski、Raymundo Cruz-Almanza

  DOI：10.1016/j.tet.2004.08.009

  日期：2004.10

  1H-Imidazoles are readily N-alkylated by a Cu(acac)(2) mediated reaction with alpha-diazocarbonyl compounds or with diazoalkanes generated in situ from the corresponding p-toluensulfonyl hydrazones. The antifungal agent bifonazole was prepared by the latter method. (C) 2004 Elsevier Ltd. All rights reserved.