1-(2-苯基-1H-咪唑-1-基)乙酮 | 182481-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2-苯基-1H-咪唑-1-基)乙酮
• 中文别名: 1,2,3-环戊三醇,4-氨基-5-(甲磺酰)-,(1R,2S,3R,4S,5S)-
• 英文名称: N-acetyl-2-phenylimidazole
• 英文别名: 1-Acetyl-2-phenylimidazole；1-(2-phenylimidazol-1-yl)ethanone
• CAS: 182481-13-6
• 化学式: C₁₁H₁₀N₂O
• 分子量: 186.213
• InChiKey: GVJVBXBAPAIFIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  palladium diacetate 、 1-(2-苯基-1H-咪唑-1-基)乙酮 以 溶剂黄146 为溶剂， 以23.8%的产率得到[Pd(N-acetyl-2-phenylimidazole)(μ-OAc)]2
  参考文献：
  名称：

  A way to obtain cyclopalladation of unsubstituted 2-phenylimidazole derivatives

  摘要：

  This work shows the difficulties of obtaining cyclopalladated complexes with 2-phenylimidazole and 2-phenylbenzimidazole as ligands. The protection of the NH group in the heterocycle with an acetyl group allows the formation of several cyclopalladated complexes of both ligands. The X-ray structure of the dimeric acetate-bridge complex of N-acetyl-2-phenyl-benzimidazole is described. The subsequent displacement of the protective group affords a monomeric cyclopalladated complex of 2-phenylbenzimidazole, as well as a coordination complex of this ligand.

  DOI：

  10.1016/0022-328x(96)06148-7
• 作为产物：
  描述：

  2-苯基咪唑 、 乙酰氯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以71.1%的产率得到1-(2-苯基-1H-咪唑-1-基)乙酮
  参考文献：
  名称：

  A way to obtain cyclopalladation of unsubstituted 2-phenylimidazole derivatives

  摘要：

  This work shows the difficulties of obtaining cyclopalladated complexes with 2-phenylimidazole and 2-phenylbenzimidazole as ligands. The protection of the NH group in the heterocycle with an acetyl group allows the formation of several cyclopalladated complexes of both ligands. The X-ray structure of the dimeric acetate-bridge complex of N-acetyl-2-phenyl-benzimidazole is described. The subsequent displacement of the protective group affords a monomeric cyclopalladated complex of 2-phenylbenzimidazole, as well as a coordination complex of this ligand.

  DOI：

  10.1016/0022-328x(96)06148-7