(7CI,8CI)-5-氟-2-(甲基硫代)-嘧啶 | 6090-37-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: (7CI,8CI)-5-氟-2-(甲基硫代)-嘧啶
• 中文别名: 5-氟-2-(甲硫基)嘧啶；5 -氟- 2 -(甲硫基)嘧啶
• 英文名称: 5-fluoro-2-(methylthio)pyrimidine
• 英文别名: 5-fluoro-2-methylsulfanylpyrimidine
• CAS: 6090-37-5
• 化学式: C₅H₅FN₂S
• 分子量: 144.173
• InChiKey: WEAVCBHOSOOGMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  51.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  PhenoFluor 、 2-(甲硫基)-5-羟基嘧啶 以 甲苯 为溶剂， 反应 24.0h， 以90%的产率得到(7CI,8CI)-5-氟-2-(甲基硫代)-嘧啶
  参考文献：
  名称：

  PhenoFluorMix: Practical Chemoselective Deoxyfluorination of Phenols

  摘要：

  A practical deoxyfluorination with novel deoxyfluorinating reagent PhenoFluorMix, a mixture of N,N'-1,3-bis(2,6-diisopropylphenyl)chloroimidazolium chloride and CsF, is presented. PhenoFluorMix overcomes the challenges associated with hydrolysis of PhenoFluor. PhenoFluorMix does not hydrolyze, is readily available on decagram scale, and is storable in air. In this paper, we demonstrate the practicality of the reagent and exhibit the deoxyfluorination of a variety of phenols and heterocycles.

  DOI：

  10.1021/ol5035518

文献信息

• NOVEL PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20160237090A1

  公开（公告）日：2016-08-18

  The present invention relates to compounds of the formula (I), or pharmaceutically acceptable salts, enantiomer or diastereomer thereof, wherein R 1 to R 4 are as described above. The compounds may be useful for the treatment or prophylaxis of hepatitis B virus infection.

  本发明涉及化合物(I)的公式，或其药学上可接受的盐、对映体或二面体异构体，其中R1到R4如上所述。这些化合物可能对治疗或预防乙型肝炎病毒感染有用。
• PhenoFluorMix: Practical Chemoselective Deoxyfluorination of Phenols
  作者：Teppei Fujimoto、Tobias Ritter

  DOI：10.1021/ol5035518

  日期：2015.2.6

  A practical deoxyfluorination with novel deoxyfluorinating reagent PhenoFluorMix, a mixture of N,N'-1,3-bis(2,6-diisopropylphenyl)chloroimidazolium chloride and CsF, is presented. PhenoFluorMix overcomes the challenges associated with hydrolysis of PhenoFluor. PhenoFluorMix does not hydrolyze, is readily available on decagram scale, and is storable in air. In this paper, we demonstrate the practicality of the reagent and exhibit the deoxyfluorination of a variety of phenols and heterocycles.