1-乙基-2-甲硫基-苯并咪唑 | 344896-48-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-乙基-2-甲硫基-苯并咪唑
• 英文名称: 1-ethyl-2-(methylthio)-1H-benzimidazole
• 英文别名: 1-ethyl-2-methylsulfanyl-1H-benzimidazole；1-Aethyl-2-methylmercapto-1H-benzimidazol；1-Ethyl-2-(methylthio)-1H-benzo[d]imidazole；1-ethyl-2-methylsulfanylbenzimidazole
• CAS: 344896-48-6
• 化学式: C₁₀H₁₂N₂S
• mdl: MFCD01199676
• 分子量: 192.285
• InChiKey: PVCVAJLEQGWHRX-UHFFFAOYSA-N

物化性质

• 沸点：
  182-183 °C(Press: 11 Torr)
• 密度：
  1.16±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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-乙基-2-甲硫基-苯并咪唑 、 2-氨-1-甲基苯咪唑 反应 0.25h， 以31%的产率得到(1-ethyl-1H-benzoimidazol-2-yl)-(1-methyl-1H-benzoimidazol-2-yl)-amine
  参考文献：
  名称：

  Synthesis and antitrichinellosis activity of some bis(benzimidazol-2-yl)amines

  摘要：

  Novel bis(benzimidazol-2-yl)a mines were synthesized using two methods and studied for antitrichinellosis activity. DFT calculations were performed in order to determine the geometry of molecules. All derivatives of 2-aminobenzimidazole exhibited higher activity in vitro against Trichinella spiralis larvae in regard to the activity of albendazole, moreover compounds 4f-i manifested antitrichinellosis effect, which surpassed five times the activity of albendazole. The in vivo screening of intestinal phase of the T spiralis revealed 100% effectiveness of compounds 4g-i at oral dosages of 50 and 100 mg/kg mw, while albendazole possesses 100% efficacy only at a dose of 100 mg/kg mw. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.06.017
• 作为产物：
  描述：

  1-ethyl-2-ethylsulfanyl-1H-benzimidazole; hydriodide 在 吡啶 、 sodium hydroxide 作用下， 生成 1-乙基-2-甲硫基-苯并咪唑
  参考文献：
  名称：

  Futaki, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 1365,1367, 1368

  摘要：

  DOI：

文献信息

• Synthesis and antitrichinellosis activity of some bis(benzimidazol-2-yl)amines
  作者：Anelia Ts. Mavrova、Pavletta Denkova、Yordan A. Tsenov、Kameliya K. Anichina、Dimitar I. Vutchev

  DOI：10.1016/j.bmc.2007.06.017

  日期：2007.9

  Novel bis(benzimidazol-2-yl)a mines were synthesized using two methods and studied for antitrichinellosis activity. DFT calculations were performed in order to determine the geometry of molecules. All derivatives of 2-aminobenzimidazole exhibited higher activity in vitro against Trichinella spiralis larvae in regard to the activity of albendazole, moreover compounds 4f-i manifested antitrichinellosis effect, which surpassed five times the activity of albendazole. The in vivo screening of intestinal phase of the T spiralis revealed 100% effectiveness of compounds 4g-i at oral dosages of 50 and 100 mg/kg mw, while albendazole possesses 100% efficacy only at a dose of 100 mg/kg mw. (c) 2007 Elsevier Ltd. All rights reserved.
• Futaki, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 1365,1367, 1368
  作者：Futaki

  DOI：——

  日期：——