1-(4-fluorophenyl)-4-(1,3,4-oxadiazol-2-yl)pyrrolidin-2-one | 1447497-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1-(4-fluorophenyl)-4-(1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
• 英文别名: 1-(4-Fluorophenyl)-4-(1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
• CAS: 1447497-89-3
• 化学式: C₁₂H₁₀FN₃O₂
• 分子量: 247.229
• InChiKey: RXWWRPYIPSUFNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  59.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-氟苯基)-4-肼基羰基-2-吡咯烷酮 、 原甲酸三乙酯 在 对甲苯磺酸 作用下， 反应 20.0h， 以42%的产率得到1-(4-fluorophenyl)-4-(1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
  参考文献：
  名称：

  Synthesis and Characterization of 4-Substituted 1-(4-Halogenophenyl)pyrrolidin-2-ones with Azole and Azine Moieties

  摘要：

  4-Substituted 1-(4-fluoro- and 4-chlorophenyl)pyrrolidin-2-ones containing azole, oxadiazole, triazole, and triazine fragments have been synthesized, and the characterization of the obtained products is presented. The study compounds have been analyzed by elemental analysis, and the NMR, IR, MS techniques. The H-1/C-13 2D (HETCOR), APT (C-13) NMR methods, and molecular modeling (MM2) were used for structure elucidation in more complicated cases.

  DOI：

  10.3987/com-13-12703

文献信息

• Synthesis and Characterization of 4-Substituted 1-(4-Halogenophenyl)pyrrolidin-2-ones with Azole and Azine Moieties
  作者：Vytautas Mickevicius、Rita Vaickelioniene、Gema Mikulskiene

  DOI：10.3987/com-13-12703

  日期：——

  4-Substituted 1-(4-fluoro- and 4-chlorophenyl)pyrrolidin-2-ones containing azole, oxadiazole, triazole, and triazine fragments have been synthesized, and the characterization of the obtained products is presented. The study compounds have been analyzed by elemental analysis, and the NMR, IR, MS techniques. The H-1/C-13 2D (HETCOR), APT (C-13) NMR methods, and molecular modeling (MM2) were used for structure elucidation in more complicated cases.