4-nitro-2,2',5-trifluorobenzophenone | 1015414-80-8

• 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: 4-nitro-2,2',5-trifluorobenzophenone
• 英文别名: (2,5-Difluoro-4-nitrophenyl)-(2-fluorophenyl)methanone；(2,5-difluoro-4-nitrophenyl)-(2-fluorophenyl)methanone
• CAS: 1015414-80-8
• 化学式: C₁₃H₆F₃NO₃
• 分子量: 281.191
• InChiKey: IMENBPUJCNHTLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,4,5-三氟硝基苯 、 2-氟苯甲醛 在 1,3-二甲基咪唑 碘 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.17h， 以71%的产率得到4-nitro-2,2',5-trifluorobenzophenone
  参考文献：
  名称：

  N-Heterocyclic Carbene-Catalyzed Nucleophilic Aroylation of Fluorobenzenes

  摘要：

  In N-heterocyclic carbene (NHCs) catalyzed nucleophilic substitution of fluorobenzenes, fluoro groups are replaced by aroyl groups, which are derived from aromatic aldehydes. 1,3,4,5-Tetramethylimidazol-2-ylidene is found to be an efficient catalyst. The catalyst loading can be reduced to I mol % without a significant decrease in the product yields. Polysubstituted benzophenones are synthesized from fluorobenzenes and benzaldehydes by the NHC-catalyzed aroylation.

  DOI：

  10.1021/jo7023569

文献信息

• N-Heterocyclic Carbene-Catalyzed Nucleophilic Aroylation of Fluorobenzenes
  作者：Yumiko Suzuki、Shinya Ota、Yoshinori Fukuta、Yuki Ueda、Masayuki Sato

  DOI：10.1021/jo7023569

  日期：2008.3.1

  In N-heterocyclic carbene (NHCs) catalyzed nucleophilic substitution of fluorobenzenes, fluoro groups are replaced by aroyl groups, which are derived from aromatic aldehydes. 1,3,4,5-Tetramethylimidazol-2-ylidene is found to be an efficient catalyst. The catalyst loading can be reduced to I mol % without a significant decrease in the product yields. Polysubstituted benzophenones are synthesized from fluorobenzenes and benzaldehydes by the NHC-catalyzed aroylation.