4-amino-6-benzylthio-2-methyl-5-(trifluoromethyl)pyrimidine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-amino-6-benzylthio-2-methyl-5-(trifluoromethyl)pyrimidine
• 英文别名: 6-Benzylsulfanyl-2-methyl-5-trifluoromethyl-pyrimidin-4-ylamine；6-benzylsulfanyl-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
• 化学式: C₁₃H₁₂F₃N₃S
• 分子量: 299.32
• InChiKey: AALGUWXKEYIPIH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  77.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N'-(1-benzylsulfanyl-2-cyano-3,3,3-trifluoroprop-1-enyl)ethanimidamide 以 甲苯 为溶剂， 反应 5.0h， 以70%的产率得到4-amino-6-benzylthio-2-methyl-5-(trifluoromethyl)pyrimidine
  参考文献：
  名称：

  摘要：

  alpha-Fluorine-containing beta-functionalized vinyl sulfides readily react with N-nucleophiles to form alpha-fluorine-substituted products. The reactions with phenylhydrazines and amidines of acids are accompanied by cyclization at the functional group. Thermal cyclization of cyanotrifluoromethylketene N,S-acetals proceeds at the trifluoromethyl group to give substituted 3-cyanoquinolin-4-ones.

  DOI：

  10.1023/a:1019669820268

文献信息

• ——
  作者：A. N. Kovregin、A. Yu. Sizov、A. F. Ermolov

  DOI：10.1023/a:1019669820268

  日期：——

  alpha-Fluorine-containing beta-functionalized vinyl sulfides readily react with N-nucleophiles to form alpha-fluorine-substituted products. The reactions with phenylhydrazines and amidines of acids are accompanied by cyclization at the functional group. Thermal cyclization of cyanotrifluoromethylketene N,S-acetals proceeds at the trifluoromethyl group to give substituted 3-cyanoquinolin-4-ones.