ethyl 4-phenyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole-5-Carboxylate | 313974-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 4-phenyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole-5-Carboxylate
• 英文别名: ethyl 4-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxylate
• CAS: 313974-99-1
• 化学式: C₁₉H₁₅F₃N₂O₂
• 分子量: 360.336
• InChiKey: IBGIZYSKKIIDSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-phenyl-2-(4-(trifluoromethyl)benzamido)acetic acid 在 三丁基膦 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 ethyl 4-phenyl-2-(4-(trifluoromethyl)phenyl)-1H-imidazole-5-Carboxylate
  参考文献：
  名称：

  Synthesis of Di- and Tri-Substituted Imidazole-4-carboxylates via PBu₃-Mediated [3 + 2] Cycloaddition

  摘要：

  Some new di- and trisubstituted imidazole-4-carboxylates were prepared from amidoacetic acids 3 in the present report. The key step to establish such imidazole-4-carboxylates stemmed from the PBu3-mediated [3+2] cycloaddition between in situ-generated 2-oxazolinone 4 and ethyl cyanoformate6. Our results indicated that trisubstituted imidazoles 7-20 were afforded in better yields than those of disubstituted imidazoles 21-27. Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2011.644846

文献信息

• US6288061B1
  申请人：——

  公开号：US6288061B1

  公开（公告）日：2001-09-11