1-(2-Methyl-3,3-bis-methylsulfanyl-acryloyl)-3-propyl-thiourea | 170805-01-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-(2-Methyl-3,3-bis-methylsulfanyl-acryloyl)-3-propyl-thiourea
• 英文别名: 2-methyl-3,3-bis(methylsulfanyl)-N-(propylcarbamothioyl)prop-2-enamide
• CAS: 170805-01-3
• 化学式: C₁₀H₁₈N₂OS₃
• 分子量: 278.464
• InChiKey: KQXOVCUQOJLWPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  124
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-Methyl-3,3-bis-methylsulfanyl-acryloyl)-3-propyl-thiourea 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 以97%的产率得到5-(Bis-methylsulfanyl-methyl)-5-methyl-1-propyl-2-thioxo-imidazolidin-4-one
  参考文献：
  名称：

  A convenient approach to the synthesis of 6-substituted 1,5-dialkyluracils and -2-thiouracils

  摘要：

  A general and convenient approach to the synthesis of 6-substituted 1,5-dialkyluracils and 2-thiouracils via 1,5-dialkyl-6-(methylsulfonyl) uracils 1 and 1,5-dialkyl-6-(methylsulfinyl)-2-thiouracils 2, respectively, has been described. The compounds 1 and 2 were synthesized from ethyl 2-alkyl-3,3-di(methylthio)acrylates 3 in live steps in good yields.

  DOI：

  10.1016/0040-4039(95)01238-d
• 作为产物：
  描述：

  正丙胺 、 2-Methyl-3,3-bis-methylsulfanyl-thioacryloyl isocyanate 以 甲苯 为溶剂， 生成 1-(2-Methyl-3,3-bis-methylsulfanyl-acryloyl)-3-propyl-thiourea
  参考文献：
  名称：

  A convenient approach to the synthesis of 6-substituted 1,5-dialkyluracils and -2-thiouracils

  摘要：

  A general and convenient approach to the synthesis of 6-substituted 1,5-dialkyluracils and 2-thiouracils via 1,5-dialkyl-6-(methylsulfonyl) uracils 1 and 1,5-dialkyl-6-(methylsulfinyl)-2-thiouracils 2, respectively, has been described. The compounds 1 and 2 were synthesized from ethyl 2-alkyl-3,3-di(methylthio)acrylates 3 in live steps in good yields.

  DOI：

  10.1016/0040-4039(95)01238-d