2-Benzyl-7-bromo-4-(phenylmethoxymethyl)-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide | 1215721-31-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Benzyl-7-bromo-4-(phenylmethoxymethyl)-3,4-dihydro-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
• 英文别名: 2-benzyl-7-bromo-4-(phenylmethoxymethyl)-3,4-dihydro-5,1λ6,2-benzoxathiazepine 1,1-dioxide
• CAS: 1215721-31-5
• 化学式: C₂₃H₂₂BrNO₄S
• 分子量: 488.402
• InChiKey: IXTJTVYZSNKCLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苄基缩水甘油醚 、 4-溴-2-氯-苯磺酰氯 、 苄胺 在 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以67%的产率得到2-Benzyl-7-bromo-4-(phenylmethoxymethyl)-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.