(4R)-2-benzyl-7-bromo-4-but-3-enyl-8-fluoro-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide | 1215721-25-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4R)-2-benzyl-7-bromo-4-but-3-enyl-8-fluoro-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
• 英文别名: (4R)-2-benzyl-7-bromo-4-but-3-enyl-8-fluoro-3,4-dihydro-5,1λ6,2-benzoxathiazepine 1,1-dioxide
• CAS: 1215721-25-7
• 化学式: C₁₉H₁₉BrFNO₃S
• 分子量: 440.333
• InChiKey: YVXFNCGHYIKTJM-OAHLLOKOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4R)-2-benzyl-7-bromo-4-but-3-enyl-8-fluoro-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide 、 3-吡啶硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.5h， 以36%的产率得到
  参考文献：
  名称：

  Synthesis of novel benzoxathiazepine-1,1-dioxides by means of a one-pot multicomponent reaction

  摘要：

  A simple one-pot synthesis of benzoxathiazepine-1,1-dioxides is described. Increased yields are afforded when suitable substituents are present in one of the starting materials. These additional substituents also provide a handle for further functionalization. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2009.12.099
• 作为产物：
  描述：

  苄胺 、 1,2-环氧己-5-烯 、 4-溴-2,5-二氟苯磺酰氯 在 四丁基溴化铵 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以76%的产率得到(4R)-2-benzyl-7-bromo-4-but-3-enyl-8-fluoro-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
  参考文献：
  名称：

  Synthesis of novel benzoxathiazepine-1,1-dioxides by means of a one-pot multicomponent reaction

  摘要：

  A simple one-pot synthesis of benzoxathiazepine-1,1-dioxides is described. Increased yields are afforded when suitable substituents are present in one of the starting materials. These additional substituents also provide a handle for further functionalization. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2009.12.099

文献信息

• Synthesis of novel benzoxathiazepine-1,1-dioxides by means of a one-pot multicomponent reaction
  作者：Ed Cleator、Carl A. Baxter、Michael O’Hagan、Timothy J.C. O’Riordan、Faye J. Sheen、Gavin W. Stewart

  DOI：10.1016/j.tetlet.2009.12.099

  日期：2010.2

  A simple one-pot synthesis of benzoxathiazepine-1,1-dioxides is described. Increased yields are afforded when suitable substituents are present in one of the starting materials. These additional substituents also provide a handle for further functionalization. (C) 2009 Published by Elsevier Ltd.