苯甲酸2-(苯并咪唑-1-基)-1-苯乙基酯 | 1013325-34-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯甲酸2-(苯并咪唑-1-基)-1-苯乙基酯
• 英文名称: benzoic acid 2-(benzimidazol-1-yl)-1-phenylethyl ester
• 英文别名: [2-(Benzimidazol-1-yl)-1-phenylethyl] benzoate
• CAS: 1013325-34-2
• 化学式: C₂₂H₁₈N₂O₂
• 分子量: 342.397
• InChiKey: UVLHBBZXYBSFRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  sodium benzoate 、 1-(2-Hydroxy-2-phenylethyl)benzimidazole 在 四丁基碘化铵 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 以68%的产率得到苯甲酸2-(苯并咪唑-1-基)-1-苯乙基酯
  参考文献：
  名称：

  A simple procedure for the esterification of alcohols with sodium carboxylate salts using 1-tosylimidazole (TsIm)

  摘要：

  An efficient and selective method for esterification of alcohols using N-(p-toluenesulfonyl)imidazole (TsIm) is described. In this method, alcohols are refluxed with a mixture of RCO2Na (R: alkyl and aryl), TsIm, and triethylamine in the presence of catalytic amounts of tetra-n-butylammonium iodide (TBAI) in DNIF to afford the corresponding esters in good yields. This methodology is highly efficient for various structurally diverse alcohols with selectivity for ROH: 1 degrees > 2 degrees > 3 degrees. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.068

文献信息

• A simple procedure for the esterification of alcohols with sodium carboxylate salts using 1-tosylimidazole (TsIm)
  作者：Mohammad Navid Soltani Rad、Somayeh Behrouz、Mohammad Ali Faghihi、Ali Khalafi-Nezhad

  DOI：10.1016/j.tetlet.2007.12.068

  日期：2008.2

  An efficient and selective method for esterification of alcohols using N-(p-toluenesulfonyl)imidazole (TsIm) is described. In this method, alcohols are refluxed with a mixture of RCO2Na (R: alkyl and aryl), TsIm, and triethylamine in the presence of catalytic amounts of tetra-n-butylammonium iodide (TBAI) in DNIF to afford the corresponding esters in good yields. This methodology is highly efficient for various structurally diverse alcohols with selectivity for ROH: 1 degrees > 2 degrees > 3 degrees. (C) 2007 Elsevier Ltd. All rights reserved.