diethyl 4-(2-hydroxybenzyl)-2,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]thiazin-3-yl-phosphonate | 1620088-66-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: diethyl 4-(2-hydroxybenzyl)-2,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]thiazin-3-yl-phosphonate
• CAS: 1620088-66-5
• 化学式: C₂₁H₂₆NO₄PS
• 分子量: 419.481
• InChiKey: HBOXIEOQUNLFHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.79
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (2-甲基烯丙基)膦酸二乙酯 、 2-(亚水杨基氨基)硫代苯酚 在 lithium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以64%的产率得到diethyl 4-(2-hydroxybenzyl)-2,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]thiazin-3-yl-phosphonate
  参考文献：
  名称：

  Synthesis and Bioactivity of Benzothiazaphosphepines and Relevant Phosphonates as Antioxidant/Antidiabetic Agents

  摘要：

  An efficient approach to a new series of benzothiazaphosphepines and their derived phosphonates in good yields (64-75%) was reported. The strategy relied on the reactions of the easily available 2-arylmethylene-aminobenzenethiols with different types of Wadsworth-Horner-Emmons (WHE) reagents in dimethylformamide (DMF)/lithium hydride (LiH) solution. All new compounds were bioscreened and showed, in vitro, moderate to good antioxidant and antidiabetic activities.

  DOI：

  10.1080/00397911.2014.912329