N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17-hexaene-3,12-diamine | 1206515-21-0

• 分子结构分类: 有机化合物
• 英文名称: N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17-hexaene-3,12-diamine
• 英文别名: N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.05,10]octadeca-1(16),5,7,9,14,17 hexaene-3,12-diamine；3-N,3-N,12-N,12-N-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.05,10]octadeca-1(17),5,7,9,14(18),15-hexaene-3,12-diamine
• CAS: 1206515-21-0
• 化学式: C₂₀H₂₈N₂O₄P₂
• 分子量: 422.401
• InChiKey: HZETWBXIJRJWPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17-hexaene-3,12-diamine 在 氧气 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以1.18 g的产率得到N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3λ(5),12(5)-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17-hexaene-3,12-diamine 3,12-dioxide
  参考文献：
  名称：

  Synthesis of the first unsymmetrical macroheterocycle containing endocyclic phosphorus atoms from pyrocatechol and hydroquinone

  摘要：

  The first unsymmetrical phosphorus(III)-containing macrocycle having hydroquinone and pyrocatechol fragments, N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17 hexaene-3,12-diamine, was synthesized in a stepwise mode from hexaethylphosphorous triamide, hydroquinone, and pyrocatechol. The product was converted into the corresponding P,P'-dioxide and P,P'-disulfide.

  DOI：

  10.1134/s1070363209020066
• 作为产物：
  描述：

  1,4-phenylene bis(tetraethylphosphorodiamidite) 、 邻苯二酚 以 乙酸乙酯 为溶剂， 反应 24.0h， 生成 N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17-hexaene-3,12-diamine
  参考文献：
  名称：

  Synthesis of the first unsymmetrical macroheterocycle containing endocyclic phosphorus atoms from pyrocatechol and hydroquinone

  摘要：

  The first unsymmetrical phosphorus(III)-containing macrocycle having hydroquinone and pyrocatechol fragments, N,N,N',N'-tetraethyl-2,4,11,13-tetraoxa-3,12-diphosphatricyclo[12.2.2.0(5,10)]octadeca-1(16),5,7,9,14,17 hexaene-3,12-diamine, was synthesized in a stepwise mode from hexaethylphosphorous triamide, hydroquinone, and pyrocatechol. The product was converted into the corresponding P,P'-dioxide and P,P'-disulfide.

  DOI：

  10.1134/s1070363209020066