4-甲基硫代-6-四氢-1H-吡咯-1,3,5-三嗪-2-胺 | 175204-64-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 4-甲基硫代-6-四氢-1H-吡咯-1,3,5-三嗪-2-胺
• 英文名称: 6-amino-2-methylthio-4-(pyrrolidin-1-yl)-1,3,5-triazine
• 英文别名: 4-(methylthio)-6-tetrahydro-1H-pyrrol-1-yl-1,3,5-triazin-2-amine；4-methylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
• CAS: 175204-64-5
• 化学式: C₈H₁₃N₅S
• 分子量: 211.291
• InChiKey: PYYITVPEUGKVSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  93.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 6-amino-2-hexylthio-4-methylthio-1,3,5-triazine 以 1,4-二氧六环 为溶剂， 以33%的产率得到4-甲基硫代-6-四氢-1H-吡咯-1,3,5-三嗪-2-胺
  参考文献：
  名称：

  Solution- and Solid-Phase Synthesis of Combinatorial Libraries of Trisubstituted 1,3,5-Triazines

  摘要：

  A general synthesis of trisusbstituted 1,3,5-triazines of types (4) and (5) by condensation of amidines (2) and thiouronium salts (3) with dimethyl cyanoiminodithiocarbonate (1) was first established in solution (Scheme 1). Further investigations were directed toward a multidirectional cleavage procedure of the 2-alkylsulfinyl intermediates with different nucleophiles to form highly substituted 1,3,5-triazines of type (8) and (9). This methodology was successfully transferred onto solid support taking advantages of a sulfur-based safety catch linkage, using the polymer-bound thiouronium salt (11) (Scheme 3). In addition, other compounds libraries were chemoselectively generated on solid support in good to excellent yields combining both solution- and solid-phase synthesis, starting from a resin-bound thiol (15) and cyanuric chloride (16) (Scheme 4).

  DOI：

  10.3987/com-98-8231