2,2,2-trifluoro-N-[2-(1-imidazol-1-ylethenyl)phenyl]acetamide | 108649-60-1

• 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: 2,2,2-trifluoro-N-[2-(1-imidazol-1-ylethenyl)phenyl]acetamide
• CAS: 108649-60-1
• 化学式: C₁₃H₁₀F₃N₃O
• 分子量: 281.237
• InChiKey: ANGVNCJTKKGMRA-UHFFFAOYSA-N

物化性质

• 熔点：
  168-169 °C
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  46.92
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2,2-trifluoro-N-[2-(1-imidazol-1-ylethenyl)phenyl]acetamide 在 sodium hydroxide 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 19.0h， 生成 1-<1-<2-<(4-chlorobenzyl)amino>phenyl>vinyl>-1H-imidazole
  参考文献：
  名称：

  Synthesis and antifungal activity of new 1-vinylimidazoles

  摘要：

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.

  DOI：

  10.1021/jm00391a014
• 作为产物：
  描述：

  1-<1-(2-aminophenyl)vinyl>-1H-imidazole 、 三氟乙酸酐 以 二氯甲烷 为溶剂， 反应 0.17h， 以26%的产率得到2,2,2-trifluoro-N-[2-(1-imidazol-1-ylethenyl)phenyl]acetamide
  参考文献：
  名称：

  Synthesis and antifungal activity of new 1-vinylimidazoles

  摘要：

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.

  DOI：

  10.1021/jm00391a014

文献信息

• OGATA, MASARU;MATSUMOTO, HIROSHI;SHIMIZU, SUMIO;KIDA, SHIRO;SHIRO, MOTOO;+, J. MED. CHEM., 30,(1987) N 8, 1348-1354
  作者：OGATA, MASARU、MATSUMOTO, HIROSHI、SHIMIZU, SUMIO、KIDA, SHIRO、SHIRO, MOTOO、+

  DOI：——

  日期：——