1,7-diaza-4,10,13-trioxa-11,12-benzocyclopenta-deca-2,6-dione | 141037-55-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,7-diaza-4,10,13-trioxa-11,12-benzocyclopenta-deca-2,6-dione
• 英文别名: 11,12-benzo-1,7-diaza-4,10,13-trioxacyclopentadeca-2,6-dione；2,8,14-trioxa-5,11-diazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-6,10-dione
• CAS: 141037-55-0
• 化学式: C₁₄H₁₈N₂O₅
• 分子量: 294.307
• InChiKey: XFERGRZNFOMOMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.29
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  85.89
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  二甲基二羟基乙酸酯 、 O-二(2-氨基乙氧基)苯 以 甲醇 为溶剂， 反应 168.0h， 以66%的产率得到1,7-diaza-4,10,13-trioxa-11,12-benzocyclopenta-deca-2,6-dione
  参考文献：
  名称：

  Synthesis, crystal and molecular structure of 1,7-diaza-4,10,13-trioxa-11,12-benzocyclopentadeca-2,6-dione

  摘要：

  The structure of the title compound has been investigated in the solid state and in solution by X-ray and NMR methods. The crystals are monoclinic: P2(1)/n, a = 9.010(2), b = 18.877(4), c = 9.434(2) angstrom, beta = 113.06(1)-degrees. The structure was solved by direct methods, and refined with 1764 unique reflections by full-matrix, least-squares to R = 0.0607 (R(w) = 0.0439). Although a two-fold symmetry of the molecule was suggested from NMR results, no approximate molecular symmetry elements were found in the crystalline state. Some intra- and intermolecular hydrogen bonds were observed.

  DOI：

  10.1007/bf01161356

文献信息

• A new method for the synthesis of diazacoronands via double-amidation reaction
  作者：Janusz Jurczak、Tomasz Stankiewicz、Piotr Sałański、Stanisław Kasprzyk、Piotr Lipkowski

  DOI：10.1016/s0040-4020(01)90200-5

  日期：1993.2

  Alpha,omega-diamino aliphatic ethers react under ambient conditions with dimethyl alpha,omega-dicarboxylates, in methanol as a solvent, to give the cyclic diamides in good yields. Their subsequent reduction with a borhoydride-dimethyl sulphide complex affords the respective diazacoronands.