cyclopropylmethyl 1-imidazolecarboxylate | 1344736-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: cyclopropylmethyl 1-imidazolecarboxylate
• 英文别名: Cyclopropylmethyl imidazole-1-carboxylate；cyclopropylmethyl imidazole-1-carboxylate
• CAS: 1344736-05-5
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: HZGXCDGPNUUVQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cyclopropylmethyl 1-imidazolecarboxylate 、 对溴苯乙酸 以 乙腈 为溶剂， 反应 24.0h， 以0.112 g的产率得到cyclopropylmethyl 2-(4-bromophenyl)acetate
  参考文献：
  名称：

  On the reactivity of imidazole carbamates and ureas and their use as esterification and amidation reagents

  摘要：

  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.

  DOI：

  10.1016/j.tet.2011.09.057
• 作为产物：
  描述：

  羟甲基环丙烷 、 N,N'-羰基二咪唑 以 二氯甲烷 为溶剂， 生成 cyclopropylmethyl 1-imidazolecarboxylate
  参考文献：
  名称：

  EP1764362

  摘要：

  公开号：

文献信息

• EP1764362
  申请人：——

  公开号：——

  公开（公告）日：——
• 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.