5-氟-N-甲基-2-嘧啶胺 | 163082-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-氟-N-甲基-2-嘧啶胺
• 英文名称: 5-fluoro-N-methylpyrimidin-2-amine
• CAS: 163082-52-8
• 化学式: C₅H₆FN₃
• 分子量: 127.121
• InChiKey: DNPBNIAEPZLPGJ-UHFFFAOYSA-N

物化性质

• 沸点：
  221.7±32.0 °C(Predicted)
• 密度：
  1.276±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 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：
  37.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为产物：
  描述：

  1-甲基胍盐酸盐 、 乙铵,N-[3-(二乙胺基)-2-氟-2-亚丙烯基]-N-乙基-,碘化 在 sodium methylate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 3.0h， 以84%的产率得到5-氟-N-甲基-2-嘧啶胺
  参考文献：
  名称：

  Reactions of β-fluorovinamidinium salt with bifunctional hetero nucleophiles. A new synthetic route to fluorinated heterocycles

  摘要：

  beta-Fluorovinamidinium salt (2), readily prepared from N-(2,3,3-trifluoro-1-propenyl)trimethylammonium iodide (1) and diethylamine, reacted with bifunctional hetero nucleophiles such as amidine and guanidine hydrochlorides in the presence of a base to afford regiospecifically monofluorinated pyrimidines 4 in good yields. The one-pot procedure starting from 1 was applicable for synthesizing heterocyclic compounds 4 in almost comparable yields.

  DOI：

  10.1016/0040-4039(95)00076-o

文献信息

• Reactions of β-fluorovinamidinium salt with bifunctional hetero nucleophiles. A new synthetic route to fluorinated heterocycles
  作者：Xifeng Shi、Takashi Ishihara、Hiroki Yamanaka、John T. Gupton

  DOI：10.1016/0040-4039(95)00076-o

  日期：1995.2

  beta-Fluorovinamidinium salt (2), readily prepared from N-(2,3,3-trifluoro-1-propenyl)trimethylammonium iodide (1) and diethylamine, reacted with bifunctional hetero nucleophiles such as amidine and guanidine hydrochlorides in the presence of a base to afford regiospecifically monofluorinated pyrimidines 4 in good yields. The one-pot procedure starting from 1 was applicable for synthesizing heterocyclic compounds 4 in almost comparable yields.