5,9-bis(diethylamino)-2,2-dimethyl-4,6,8,10-tetraoxa-5λ5,9λ5-diphospha-1,3,7(1,4)-tribenzenacyclodecaphane-5,9-dioxide | 1217169-27-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: 5,9-bis(diethylamino)-2,2-dimethyl-4,6,8,10-tetraoxa-5λ5,9λ5-diphospha-1,3,7(1,4)-tribenzenacyclodecaphane-5,9-dioxide
• 英文别名: 8-N,8-N,15-N,15-N-tetraethyl-2,2-dimethyl-8,15-dioxo-7,9,14,16-tetraoxa-8lambda5,15lambda5-diphosphatetracyclo[15.2.2.23,6.210,13]pentacosa-1(19),3(25),4,6(24),10(23),11,13(22),17,20-nonaene-8,15-diamine；8-N,8-N,15-N,15-N-tetraethyl-2,2-dimethyl-8,15-dioxo-7,9,14,16-tetraoxa-8λ5,15λ5-diphosphatetracyclo[15.2.2.23,6.210,13]pentacosa-1(19),3(25),4,6(24),10(23),11,13(22),17,20-nonaene-8,15-diamine
• CAS: 1217169-27-1
• 化学式: C₂₉H₃₈N₂O₆P₂
• 分子量: 572.578
• InChiKey: UWAQMCUNJGHBPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N,N,N',N'-tetraethyl-2,2-dimethyl-4,6,8,10-tetraoxa-5,9-diphospha-1,3,7(1,4)-tribenzenacyclodecaphane-5,9-diamine 在 air 作用下， 以 乙酸乙酯 为溶剂， 反应 4.0h， 以51%的产率得到5,9-bis(diethylamino)-2,2-dimethyl-4,6,8,10-tetraoxa-5λ5,9λ5-diphospha-1,3,7(1,4)-tribenzenacyclodecaphane-5,9-dioxide
  参考文献：
  名称：

  Synthesis of unsymmetrical phosphorus-containing macrocycles on the basis of hydroquinone, 4,4′-(propane-2,2-diyl)diphenol, and resorcinol

  摘要：

  Bisphosphorylation of hydroquinone and 4,4'-(propane-2,2-diyl)diphenol was performed for the first time in ethyl acetate. The bisphosphorylated products were used in molecular assembly of unsymmetrical phosphorus(III)-containing macrocycles consisting of hydroquinone and 2,2-bis(p-hydroxyphenyl)propane or resorcinol fragments. The macrocyclic compound based on hydroquinone and 2,2-bis(p-hydroxyphenyl)-propane was subjected to oxidation and sulfurization to obtain the corresponding phosphorus(V) derivatives. Its biological activity was also studied.

  DOI：

  10.1134/s1070428009060177

文献信息

• Synthesis of unsymmetrical phosphorus-containing macrocycles on the basis of hydroquinone, 4,4′-(propane-2,2-diyl)diphenol, and resorcinol
  作者：Yu. I. Blokhin、K. N. Kornilov、Yu. V. Volchenkova

  DOI：10.1134/s1070428009060177

  日期：2009.6

  Bisphosphorylation of hydroquinone and 4,4'-(propane-2,2-diyl)diphenol was performed for the first time in ethyl acetate. The bisphosphorylated products were used in molecular assembly of unsymmetrical phosphorus(III)-containing macrocycles consisting of hydroquinone and 2,2-bis(p-hydroxyphenyl)propane or resorcinol fragments. The macrocyclic compound based on hydroquinone and 2,2-bis(p-hydroxyphenyl)-propane was subjected to oxidation and sulfurization to obtain the corresponding phosphorus(V) derivatives. Its biological activity was also studied.