2-pyrimidinyl(3-trifluoromethylphenyl)methanone | 174812-98-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-pyrimidinyl(3-trifluoromethylphenyl)methanone
• 英文别名: Pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methanone
• CAS: 174812-98-7
• 化学式: C₁₂H₇F₃N₂O
• mdl: MFCD17126064
• 分子量: 252.196
• InChiKey: CWNLJNLFUGQRFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-pyrimidinyl(3-trifluoromethylphenyl)methanone 在 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以8%的产率得到Z-2-pyrimidinyl(3-trifluoromethylphenyl)methanone oxime
  参考文献：
  名称：

  Aryl Diazinyl Ketoximes: Synthesis and Configurational Assignment

  摘要：

  Preparation of a series of new aryl diazinyl ketoximes (7a,b - 12a,b) required as synthetic building blocks is described. Separation of the E/Z-isomers obtained was achieved by means of chromatography, their configuration was assigned using nmr techniques. Moreover, procedures for the synthesis of the starting ketones (1b - 6b) are given.

  DOI：

  10.3987/com-95-7248
• 作为产物：
  描述：

  间三氟甲基苯乙腈 在 sodium hydroxide 、 苄基三乙基氯化铵 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 生成 2-pyrimidinyl(3-trifluoromethylphenyl)methanone
  参考文献：
  名称：

  Aryl Diazinyl Ketoximes: Synthesis and Configurational Assignment

  摘要：

  Preparation of a series of new aryl diazinyl ketoximes (7a,b - 12a,b) required as synthetic building blocks is described. Separation of the E/Z-isomers obtained was achieved by means of chromatography, their configuration was assigned using nmr techniques. Moreover, procedures for the synthesis of the starting ketones (1b - 6b) are given.

  DOI：

  10.3987/com-95-7248

文献信息

• Aryl Diazinyl Ketoximes: Synthesis and Configurational Assignment
  作者：Gottfried Heinisch、Wolfgang Holzer、Thierry Langer、Peter Lukavsky

  DOI：10.3987/com-95-7248

  日期：——

  Preparation of a series of new aryl diazinyl ketoximes (7a,b - 12a,b) required as synthetic building blocks is described. Separation of the E/Z-isomers obtained was achieved by means of chromatography, their configuration was assigned using nmr techniques. Moreover, procedures for the synthesis of the starting ketones (1b - 6b) are given.