(4-Imino-2-thioxo-thiazolidin-3-yl)-acetic acid methyl ester | 50616-48-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4-Imino-2-thioxo-thiazolidin-3-yl)-acetic acid methyl ester
• CAS: 50616-48-3
• 化学式: C₆H₈N₂O₂S₂
• 分子量: 204.274
• InChiKey: PQGGAKULKXWSDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  12.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  53.39
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (4-Imino-2-thioxo-thiazolidin-3-yl)-acetic acid methyl ester 在 palladium on activated charcoal 哌啶 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 36.0h， 生成 methyl 5-(difluoromethyl)-2-thioxothiazolo<4,5-b>pyridine-3(2H)-acetate
  参考文献：
  名称：

  Synthesis and herbicidal activity of 5-(haloalkyl)-substituted thiazolo[4,5-b]pyridine-3(2H)-acetic acid derivatives

  摘要：

  Several examples of 5-(haloalkyl)-substituted thiazolo[4,5-b]pyridine-3(2H)-acetic acid derivatives were synthesized as pyridine analogues of the commercial herbicide benazolin. Most of the compounds in this study exhibited auxin-like herbicidal symptoms and higher activity on dicotyledonous than on monocotyledonous species. Among the derivatives, acids and esters were significantly more active than alkoxyamides. In addition, a combination of 2-oxo and 6-chloro substituents provided higher activity than others on certain species.

  DOI：

  10.1021/jf00035a058