dibenzo[b,j]-5,8-dioxa-13,16-diazacyclohexadecane-1,4,9,12-tetraone | 1221686-80-1

• 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: dibenzo[b,j]-5,8-dioxa-13,16-diazacyclohexadecane-1,4,9,12-tetraone
• CAS: 1221686-80-1
• 化学式: C₂₀H₁₈N₂O₆
• 分子量: 382.373
• InChiKey: DUIISRNPUFELDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.17
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  110.8
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  ethylenediammonium 2,2'-[ethane-1,2-diylbis(oxycarbonyl)]dibenzoate 反应 0.5h， 以77%的产率得到dibenzo[b,j]-5,8-dioxa-13,16-diazacyclohexadecane-1,4,9,12-tetraone
  参考文献：
  名称：

  Synthesis of macrocyclic compounds with steric barriers in macroheterocycle proceeding from (Z)-1,2,3,6-tetrahydrophthalic and phthalic acids

  摘要：

  Using 1,2-dibromoethane, (E)-1,4-dibromo-2-butene, (Z)-1,2,3,6-tetrahydrophthalic and phthalic acids we obtained along [1+1] scheme uncommon macrocyclic compounds containing ester groups, multiple bonds, and amide moieties in the macroheterocycle. The neutralization of bis-acids with ethylenediamine gave the corresponding macrocyclic diammonium salts that on heating to the melting point were converted into the corresponding macrocyclic diamides. The structure of compounds obtained was established from the elemental analyses, IR and NMR spectra.

  DOI：

  10.1134/s1070428009110232