Thiopropionimidic acid benzyl ester; hydrochloride | 162707-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Thiopropionimidic acid benzyl ester; hydrochloride
• 英文别名: Benzyl propanimidothioate;hydrochloride；benzyl propanimidothioate;hydrochloride
• CAS: 162707-46-2
• 化学式: C₁₀H₁₃NS*ClH
• 分子量: 215.747
• InChiKey: ODKZGSLWGFMVJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  49.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-3-oxo-3-(1-pyrrolidinyl)propionitrile 、 Thiopropionimidic acid benzyl ester; hydrochloride 以 乙醇 为溶剂， 反应 0.25h， 以32%的产率得到(5-Amino-2-ethyl-3H-imidazol-4-yl)-pyrrolidin-1-yl-methanone; hydrochloride
  参考文献：
  名称：

  Synthesis and antimicrobial activity of new diazoimidazole derivatives containing an N-acylpyrrolidine ring

  摘要：

  A series of 4-diazoimidazole-5-carboxamides bearing in position 2 lipophilic substituents was synthesized and their antimicrobial activity was evaluated in vitro against pathogenic Gram-positive, Gram-negative bacteria and fungi. Some compounds presented antifungal activity, particularly two derivatives (1g and 1h) showed good MIC values (10-50 mug/ml) against both moulds and yeasts. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01154-5
• 作为产物：
  描述：

  苄硫醇 、 丙腈 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 24.0h， 以88%的产率得到Thiopropionimidic acid benzyl ester; hydrochloride
  参考文献：
  名称：

  Synthesis and antimicrobial activity of new diazoimidazole derivatives containing an N-acylpyrrolidine ring

  摘要：

  A series of 4-diazoimidazole-5-carboxamides bearing in position 2 lipophilic substituents was synthesized and their antimicrobial activity was evaluated in vitro against pathogenic Gram-positive, Gram-negative bacteria and fungi. Some compounds presented antifungal activity, particularly two derivatives (1g and 1h) showed good MIC values (10-50 mug/ml) against both moulds and yeasts. (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01154-5