(E)-but-2-en-1-yl 2-(4-bromophenyl)acetate | 1247028-00-7

• 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: (E)-but-2-en-1-yl 2-(4-bromophenyl)acetate
• CAS: 1247028-00-7
• 化学式: C₁₂H₁₃BrO₂
• 分子量: 269.138
• InChiKey: HQAOATHMJMKVMU-NSCUHMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  N-<(E)-2-butenyloxycarbonyl>imidazole 、 对溴苯乙酸 以 乙腈 为溶剂， 反应 48.0h， 以84%的产率得到(E)-but-2-en-1-yl 2-(4-bromophenyl)acetate
  参考文献：
  名称：

  Chemoselective Esterification and Amidation of Carboxylic Acids with Imidazole Carbamates and Ureas

  摘要：

  Imidazole carbamates and ureas were found to be chemoselective esterification and amidation reagents. A wide variety of carboxylic acids were converted to their ester or amide analogues by a simple synthetic procedure in high yields

  DOI：

  10.1021/ol1018882

文献信息

• On the reactivity of imidazole carbamates and ureas and their use as esterification and amidation reagents
  作者：Stephen T. Heller、Richmond Sarpong

  DOI：10.1016/j.tet.2011.09.057

  日期：2011.11

  The optimization, substrate scope, and mechanism of esterification and amidation of carboxylic acids mediated by imidazole-based reagents are discussed. The innate reactivity of carbonylimidazole reagents with a range of nucleophiles is also explored. New reagents developed for the synthesis of alpha,beta-unsaturated esters are described, as are reagents for the preparation of tertiary amides directly from carboxylic acids. (C) 2011 Elsevier Ltd. All rights reserved.