2,2-Dimethyl-dithiopropionic acid 4-oxo-azetidin-2-yl ester | 188532-02-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 2,2-Dimethyl-dithiopropionic acid 4-oxo-azetidin-2-yl ester
• 英文别名: (4-oxoazetidin-2-yl) 2,2-dimethylpropanedithioate
• CAS: 188532-02-7
• 化学式: C₈H₁₃NOS₂
• 分子量: 203.329
• InChiKey: CXSKSRLMXNHPAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2-Dimethyl-dithiopropionic acid 4-oxo-azetidin-2-yl ester 在 palladium on activated charcoal P-乙基-亚膦酸二乙酯 、 氢气 、 potassium hydrogencarbonate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 Potassium; 3-tert-butyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylate
  参考文献：
  名称：

  Synthesis and antibacterial activity of (1′R, 5R, 6R)-2-tert-butyl-6-(1′-hydroxyethyl)penem-3-carboxylic acid

  摘要：

  As with the oxapenems, the 2-tert-butyl substituents substantially increased the hydrolytic stability of penems. The corresponding penems 1 and 2 were prepared and found to be extremely stable compounds. 2 showed good in vitro activity against gram-positive bacteria. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(97)00070-x
• 作为产物：
  描述：

  4-benzoyloxy-2-azetidinone 、 2,2-dimethyl-dithiopropionic acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以65%的产率得到2,2-Dimethyl-dithiopropionic acid 4-oxo-azetidin-2-yl ester
  参考文献：
  名称：

  Synthesis and antibacterial activity of (1′R, 5R, 6R)-2-tert-butyl-6-(1′-hydroxyethyl)penem-3-carboxylic acid

  摘要：

  As with the oxapenems, the 2-tert-butyl substituents substantially increased the hydrolytic stability of penems. The corresponding penems 1 and 2 were prepared and found to be extremely stable compounds. 2 showed good in vitro activity against gram-positive bacteria. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(97)00070-x