1,8,9,9a-tetrahydroazirino[1,2-b]benzo[f][1,2]thiazepine 3,3-dioxide | 1261247-02-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 1,8,9,9a-tetrahydroazirino[1,2-b]benzo[f][1,2]thiazepine 3,3-dioxide
• CAS: 1261247-02-2
• 化学式: C₁₀H₁₁NO₂S
• 分子量: 209.269
• InChiKey: NRHUVDSUQIWWEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  14.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  37.15
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1,8,9,9a-tetrahydroazirino[1,2-b]benzo[f][1,2]thiazepine 3,3-dioxide 、 (R)-1-(1-萘基)乙胺 以 四氢呋喃 为溶剂， 生成 (S)-3-((((R)-1-(naphthalen-1-yl)ethyl)amino)methyl)-2,3,4,5-tetrahydrobenzo[f][1,2]thiazepine 1,1-dioxide 、 (R)-3-((((R)-1-(naphthalen-1-yl)ethyl)amino)methyl)-2,3,4,5-tetrahydrobenzo[f][1,2]thiazepine 1,1-dioxide
  参考文献：
  名称：

  Design and synthesis of cyclic sulfonamides and sulfamates as new calcium sensing receptor agonists

  摘要：

  The design, synthesis and calcimimetic properties of various cyclic sulfonamides and sulfamates are described. The latter were prepared from the corresponding o-alkenylarenesulfonamides via copper-or rhodium-catalyzed intramolecular aziridination. The size of the cyclic sulfonamide rings as well as the position of the crucial (R)-naphthylethylamine substituent significantly affected calcimimetic activity. The most active compounds were the six-and seven-membered sulfonamides 30a and 31a and sulfamate 34a. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.006
• 作为产物：
  描述：

  2-(But-3-en-1-yl)benzene-1-sulfonamide 在 tetrakis(actonitrile)copper(I) hexafluorophosphate 、 亚碘酰苯 作用下， 以 乙腈 为溶剂， 以31%的产率得到1,8,9,9a-tetrahydroazirino[1,2-b]benzo[f][1,2]thiazepine 3,3-dioxide
  参考文献：
  名称：

  Design and synthesis of cyclic sulfonamides and sulfamates as new calcium sensing receptor agonists

  摘要：

  The design, synthesis and calcimimetic properties of various cyclic sulfonamides and sulfamates are described. The latter were prepared from the corresponding o-alkenylarenesulfonamides via copper-or rhodium-catalyzed intramolecular aziridination. The size of the cyclic sulfonamide rings as well as the position of the crucial (R)-naphthylethylamine substituent significantly affected calcimimetic activity. The most active compounds were the six-and seven-membered sulfonamides 30a and 31a and sulfamate 34a. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.006