2-chloro-4-(4-methylphenyl)-6-methylthio-1,3,5-triazine | 177938-47-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2-chloro-4-(4-methylphenyl)-6-methylthio-1,3,5-triazine
• 英文别名: 2-chloro-4-(4-methylphenyl)-6-methylsulfanyl-1,3,5-triazine
• CAS: 177938-47-5
• 化学式: C₁₁H₁₀ClN₃S
• 分子量: 251.739
• InChiKey: XOWHHTOYVFKHSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  38.67
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  苯胺 、 2-chloro-4-(4-methylphenyl)-6-methylthio-1,3,5-triazine 反应 6.0h， 以74%的产率得到2,4-bis(phenylamino)-6-(4-methylphenyl)-1,3,5-triazine
  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：

  对甲苯酰胺 在 盐酸 、 sodium hydride 、 2,3-二甲基苯胺 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 50.0h， 生成 2-chloro-4-(4-methylphenyl)-6-methylthio-1,3,5-triazine
  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.