6-Methoxy-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[1,2,4]thiadiazine-3-thiol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 6-Methoxy-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[1,2,4]thiadiazine-3-thiol
• 化学式: C₈H₈N₂O₃S₂
• 分子量: 244.295
• InChiKey: VHWSHZDOUDKUQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.76
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-Methoxy-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[1,2,4]thiadiazine-3-thiol 在 三氟化硼 、 sodium hydride 作用下， 反应 1.83h， 生成 (S)-2-[(6-methoxy-2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]propanoic acid methyl ester
  参考文献：
  名称：

  Stereospecific synthesis of 2-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]propanoic acids: enantiomeric excess evaluation by 1H NMR

  摘要：

  A method for the stereospecific synthesis of 2-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]propanoic acids 1 has been developed. A new example of enantiomer self discrimination which can be conveniently used for the determination of enantiomeric purity by H-1 NMR spectroscopy without a chiral auxiliary is also reported. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00230-9

文献信息

• Di Bella; Monzani; Andrisano, Farmaco, Edizione Scientifica, 1979, vol. 34, # 1, p. 81 - 88
  作者：Di Bella、Monzani、Andrisano、et al.

  DOI：——

  日期：——
• Gamberini; Parenti; Costantino, Pharmazie, 1989, vol. 44, # 9, p. 601 - 604
  作者：Gamberini、Parenti、Costantino、Di Bella、Raffa、Rossi

  DOI：——

  日期：——
• COSTANTINO, L.;PARENTI, C.;DI, BELLA M.;BARALDI, M., BOLL. CHIM. FARM., 129,(1990) N, C. 56-58
  作者：COSTANTINO, L.、PARENTI, C.、DI, BELLA M.、BARALDI, M.

  DOI：——

  日期：——
• Stereospecific synthesis of 2-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]propanoic acids: enantiomeric excess evaluation by 1H NMR
  作者：Annalisa Tait、Emma Colorni、Maria Di Bella

  DOI：10.1016/s0957-4166(97)00230-9

  日期：1997.7

  A method for the stereospecific synthesis of 2-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]propanoic acids 1 has been developed. A new example of enantiomer self discrimination which can be conveniently used for the determination of enantiomeric purity by H-1 NMR spectroscopy without a chiral auxiliary is also reported. (C) 1997 Elsevier Science Ltd.