E-2-pyrimidinyl(3-trifluoromethylphenyl)methanone oxime

• 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: E-2-pyrimidinyl(3-trifluoromethylphenyl)methanone oxime
• 英文别名: (NE)-N-[pyrimidin-2-yl-[3-(trifluoromethyl)phenyl]methylidene]hydroxylamine
• 化学式: C₁₂H₈F₃N₃O
• 分子量: 267.21
• InChiKey: BGKGXHMMTQPSEY-VCHYOVAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  间三氟甲基苯乙腈 在 sodium hydroxide 、 盐酸羟胺 、 苄基三乙基氯化铵 、 sodium acetate 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 30.0h， 生成 E-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

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.