1-己基-5-甲基-1H-咪唑-2-硫醇 | 1217899-46-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• 中文名称: 1-己基-5-甲基-1H-咪唑-2-硫醇
• 英文名称: 1-hexyl-5-methyl-1H-imidazole-2-thiol
• 英文别名: 3-hexyl-4-methyl-1H-imidazole-2-thione
• CAS: 1217899-46-1
• 化学式: C₁₀H₁₈N₂S
• 分子量: 198.332
• InChiKey: CGMODJHKTRIYEW-UHFFFAOYSA-N

物化性质

• 熔点：
  72-75 °C
• 沸点：
  269.4±23.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  47.4
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二硫化碳 、 正己胺 、 炔丙胺 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.0h， 以35%的产率得到1-己基-5-甲基-1H-咪唑-2-硫醇
  参考文献：
  名称：

  A Concise Synthesis of Substituted Thiourea Derivatives in Aqueous Medium

  摘要：

  An efficient method for the synthesis of symmetrical and unsymmetrical substituted thiourea derivatives by means of simple condensation between available building blocks such Lis airlines and carbon disulfide in aqueous medium is presented. This protocol works smoothly with aliphatic primary amines to afford various di- and trisubstituted thiourea derivatives. The present method is also useful ill synthesizing various substituted 2-mercapto imidazole heterocycles. This method proceeds through a xanthate (amino dithiol deivative) intermediate, unlike isothiocyanate as in all earlier known method.

  DOI：

  10.1021/jo1001593

文献信息

• A Concise Synthesis of Substituted Thiourea Derivatives in Aqueous Medium
  作者：Mahagundappa R. Maddani、Kandikere R. Prabhu

  DOI：10.1021/jo1001593

  日期：2010.4.2

  An efficient method for the synthesis of symmetrical and unsymmetrical substituted thiourea derivatives by means of simple condensation between available building blocks such Lis airlines and carbon disulfide in aqueous medium is presented. This protocol works smoothly with aliphatic primary amines to afford various di- and trisubstituted thiourea derivatives. The present method is also useful ill synthesizing various substituted 2-mercapto imidazole heterocycles. This method proceeds through a xanthate (amino dithiol deivative) intermediate, unlike isothiocyanate as in all earlier known method.