2-(4-chlorophenyl)-7-methyl-4-tosyl-2,3,4,7-tetrahydro-1,4-oxazepine | 1199800-51-5

• 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-(4-chlorophenyl)-7-methyl-4-tosyl-2,3,4,7-tetrahydro-1,4-oxazepine
• 英文别名: 2-(4-chlorophenyl)-7-methyl-4-(4-methylphenyl)sulfonyl-3,7-dihydro-2H-1,4-oxazepine
• CAS: 1199800-51-5
• 化学式: C₁₉H₂₀ClNO₃S
• 分子量: 377.892
• InChiKey: VJITWVJCOHVPHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  3
• 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：
  4

反应信息

• 作为产物：
  描述：

  3-丁炔-2-醇 、 N-(p-toluenesulfonyl)-2-(4-chlorophenyl)aziridine 在 [Ag(COD)2](+)PF₆(-) 、 caesium carbonate 作用下， 以 1,2-二氯乙烷 为溶剂， 以75%的产率得到2-(4-chlorophenyl)-7-methyl-4-tosyl-2,3,4,7-tetrahydro-1,4-oxazepine
  参考文献：
  名称：

  Silver(I)-Catalyzed Dual Activation of Propargylic Alcohol and Aziridine/Azetidine: Triggering Ring-Opening and Endo-Selective Ring-Closing in a Cascade

  摘要：

  [Ag(COD)(2)]PF6 catalyzes the reaction between propargyl alcohols and N-tosylaziridines/azetidines leading to a diverse range of N,O-heterocycles, namely, oxazines, oxazepines, and oxazocines via ring-opening and ring-closing in a cascade

  DOI：

  10.1021/jo901877f

文献信息

• Silver(I)-Catalyzed Dual Activation of Propargylic Alcohol and Aziridine/Azetidine: Triggering Ring-Opening and Endo-Selective Ring-Closing in a Cascade
  作者：Milan Bera、Sujit Roy

  DOI：10.1021/jo901877f

  日期：2009.11.20

  [Ag(COD)(2)]PF6 catalyzes the reaction between propargyl alcohols and N-tosylaziridines/azetidines leading to a diverse range of N,O-heterocycles, namely, oxazines, oxazepines, and oxazocines via ring-opening and ring-closing in a cascade