6-methylsulfanyl-2-propyl-1H-benzimidazole | 1104075-65-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 6-methylsulfanyl-2-propyl-1H-benzimidazole
• CAS: 1104075-65-1
• 化学式: C₁₁H₁₄N₂S
• 分子量: 206.312
• InChiKey: RHWMWASSRYEBJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-((methylsulfonyl)oxy)butyrimidoyl chloride 、 4-氨基茴香硫醚 在 四甲基乙二胺 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以57%的产率得到6-methylsulfanyl-2-propyl-1H-benzimidazole
  参考文献：
  名称：

  Synthesis of α-Chloroaldoxime O-Methanesulfonates and Their Use in the Synthesis of Functionalized Benzimidazoles

  摘要：

  Three different alpha-chloroaldoxime O-methanesulfonates were synthesized to investigate their chemical properties. The compounds were found to be stable and were able to be stored at ambient temperature without any precautions. The reactions with anilines were investigated, and it was found that an additive is required to activate the sulfonate. TMEDA was found to be the most efficient additive, and various benzimidazoles were synthesized through the reaction.

  DOI：

  10.1021/jo8023544

文献信息

• Synthesis of α-Chloroaldoxime <i>O</i>-Methanesulfonates and Their Use in the Synthesis of Functionalized Benzimidazoles
  作者：Yuhei Yamamoto、Hiroo Mizuno、Takayuki Tsuritani、Toshiaki Mase

  DOI：10.1021/jo8023544

  日期：2009.2.6

  Three different alpha-chloroaldoxime O-methanesulfonates were synthesized to investigate their chemical properties. The compounds were found to be stable and were able to be stored at ambient temperature without any precautions. The reactions with anilines were investigated, and it was found that an additive is required to activate the sulfonate. TMEDA was found to be the most efficient additive, and various benzimidazoles were synthesized through the reaction.