4,7,10-triaza-15,16-benzo-3,11-dioxo-1,13-dithiacycloheptadecane | 1385794-12-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 4,7,10-triaza-15,16-benzo-3,11-dioxo-1,13-dithiacycloheptadecane
• CAS: 1385794-12-6
• 化学式: C₁₆H₂₃N₃O₂S₂
• 分子量: 353.51
• InChiKey: ALUUSJGEPCUIRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  23.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.23
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,2-di(5-oxa-4-oxo-2-thiahexyl)benzene 、 二乙烯三胺 以 乙二醇 为溶剂， 反应 0.32h， 以88%的产率得到4,7,10-triaza-15,16-benzo-3,11-dioxo-1,13-dithiacycloheptadecane
  参考文献：
  名称：

  Synthesis of new aza thia crowns under microwave irradiation

  摘要：

  Some new aza thia crowns were prepared. A new diester was first prepared from the reaction of alpha,alpha'-bis(bromomethyl) benzene and methylthioglycolate. Aza crowns were synthesized from the reactions of this diester and diamines (ethylenediamine, 1,3-diaminopropane, 1,4-diaminobutane, 1,6-diaminohexane, and diethylenetriamine) in refluxing methanol (conventional heating) and under microwave (MW) irradiation. Based on the yields of aza crowns under these two conditions, MW irradiation is the better medium for these syntheses.

  DOI：

  10.1080/17415993.2012.674131