4-methylthio-6-phenyl-1,3,5-triazin-2(1H)-one | 1917-43-7

• 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: 4-methylthio-6-phenyl-1,3,5-triazin-2(1H)-one
• 英文别名: 4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-ol；4-methylsulfanyl-6-phenyl-1H-1,3,5-triazin-2-one
• CAS: 1917-43-7
• 化学式: C₁₀H₉N₃OS
• 分子量: 219.267
• InChiKey: LNZNGZRZPAVAIL-UHFFFAOYSA-N

物化性质

• 熔点：
  276 °C
• 沸点：
  344.3±25.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  79.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-methylthio-6-phenyl-1,3,5-triazin-2(1H)-one 在 2,3-二甲基苯胺 、 三氯氧磷 作用下， 反应 1.0h， 以78%的产率得到2-Chloro-4-phenyl-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
• 作为产物：
  描述：

  N-carbamoyl-N'-benzoyl-S-methylisothiourea 以 甲醇 为溶剂， 反应 24.0h， 以75%的产率得到4-methylthio-6-phenyl-1,3,5-triazin-2(1H)-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

• BASYOUNI, M. N.;HABASHY, M. M.;EL-KHAMRY, A. A.;EL-ADLY, M. M., EGYPT. J. CHEM., 1980, 23, N 4, 243-250
  作者：BASYOUNI, M. N.、HABASHY, M. M.、EL-KHAMRY, A. A.、EL-ADLY, M. M.

  DOI：——

  日期：——
• KLAYMANN D. L.; SCOVILL J. P., J. ORG. CHEM., 1979, 44, NO 4, 630-632
  作者：KLAYMANN D. L.、 SCOVILL J. P.

  DOI：——

  日期：——
• 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.