4-(4-methoxyphenyl)-6-methylthio-1,3,5-triazin-2(3H)-one | 177938-46-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-(4-methoxyphenyl)-6-methylthio-1,3,5-triazin-2(3H)-one
• 英文别名: 6-(4-methoxyphenyl)-4-methylsulfanyl-1H-1,3,5-triazin-2-one
• CAS: 177938-46-4
• 化学式: C₁₁H₁₁N₃O₂S
• 分子量: 249.293
• InChiKey: CHIAQPILIKGBNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 4-(4-methoxyphenyl)-6-methylthio-1,3,5-triazin-2(3H)-one 反应 4.0h， 以60%的产率得到4-(4-methoxyphenyl)amino-6-morpholino-1,3,5-triazin-2(3H)-one
  参考文献：
  名称：

  Synthesis of 1,3,5-Triazine Derivatives by the Reaction of S,S'-Dimethyl N-Cyanocarbonimidodithioate with Amides

  摘要：

  S,S'-Dimethyl N-cyanocarbonimidodithioate (1) reacted with amides (2) in the presence of sodium hydride in a mixture of benzene and N,N-dimethylacetamide to give the corresponding N-acyl-N'-carbamoyl-S-methylisothioureas (3). Refluxing of 3 in methanol gave the corresponding cyclized product, 1,3,5-triazin-2(1H)-one derivatives (4). Compounds (4) were found to be useful intermediates for the synthesis of trisubstituted 1,3,5-triazines.

  DOI：

  10.3987/com-95-7374
• 作为产物：
  描述：

  N-carbamoyl-N'-p-methoxylbenzoyl-S-methylisothiourea 以 甲醇 为溶剂， 反应 24.0h， 以54%的产率得到4-(4-methoxyphenyl)-6-methylthio-1,3,5-triazin-2(3H)-one
  参考文献：
  名称：

  Synthesis of 1,3,5-Triazine Derivatives by the Reaction of S,S'-Dimethyl N-Cyanocarbonimidodithioate with Amides

  摘要：

  S,S'-Dimethyl N-cyanocarbonimidodithioate (1) reacted with amides (2) in the presence of sodium hydride in a mixture of benzene and N,N-dimethylacetamide to give the corresponding N-acyl-N'-carbamoyl-S-methylisothioureas (3). Refluxing of 3 in methanol gave the corresponding cyclized product, 1,3,5-triazin-2(1H)-one derivatives (4). Compounds (4) were found to be useful intermediates for the synthesis of trisubstituted 1,3,5-triazines.

  DOI：

  10.3987/com-95-7374

文献信息

• Synthesis of 1,3,5-Triazine Derivatives by the Reaction of S,S'-Dimethyl N-Cyanocarbonimidodithioate with Amides
  作者：Shinya Kohra、Kazuo Ueda、Yoshinori Tominaga

  DOI：10.3987/com-95-7374

  日期：——

  S,S'-Dimethyl N-cyanocarbonimidodithioate (1) reacted with amides (2) in the presence of sodium hydride in a mixture of benzene and N,N-dimethylacetamide to give the corresponding N-acyl-N'-carbamoyl-S-methylisothioureas (3). Refluxing of 3 in methanol gave the corresponding cyclized product, 1,3,5-triazin-2(1H)-one derivatives (4). Compounds (4) were found to be useful intermediates for the synthesis of trisubstituted 1,3,5-triazines.