2,2,4,4,6,6,8,8-octakis-(2′-azido-1′-ethoxy)-cyclotetraphosphazatetraene | 1430224-20-6

• 分子结构分类: 有机化合物 - 有机卤素化合物
• 英文名称: 2,2,4,4,6,6,8,8-octakis-(2′-azido-1′-ethoxy)-cyclotetraphosphazatetraene
• CAS: 1430224-20-6
• 化学式: C₁₆H₃₂N₂₈O₈P₄
• 分子量: 868.508
• InChiKey: MMIFBMRYPRSEOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  56.0
• 可旋转键数：
  32.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  513.36
• 氢给体数：
  0.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  、 2,2,4,4,6,6,8,8-octakis-(2′-azido-1′-ethoxy)-cyclotetraphosphazatetraene 在 五甲基二乙烯三胺 、 copper(I) bromide 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以81.7%的产率得到
  参考文献：
  名称：

  Syntheses, characterizations, thermal and photophysical properties of cyclophosphazenes containing adamantane units

  摘要：

  In this study, phenoxy-adamantane substituted cyclophosphazene compounds (5-8) were synthesized in three steps. Firstly; adamantane derivatives (1 and 2) containing alkyne groups were prepared. Secondly; 2,2,4,4,6,6-hexzakis-(2'-azido-1'-ethoxy)-cyclotriphosphazatriene (3) and 2,2,4,4,6,6,8,8-octakis-(2'-azido-1'-ethoxy)-cyclotetraphosphazatetraene (4) were synthesized from the nucleophilic substitutions of 2-azido-1-ethanol with trimer (N3P3Cl6) and tetramer (N4P4Cl8) in THF respectively. Thirdly; cyclophosphazenes containing adamantane units (5-8) were obtained by the Cu(I) catalyzed click reactions of cyclophosphazenes (3 and 4) with compounds 1 and 2. The structural investigations of newly synthesized compounds 1-8 were evaluated by elemental analysis and FT-IR (ATR), mass spectrometry, H-1, C-13, H-1-C-13 HSQC (for 6) and P-31 NMR (for 3-8) spectroscopies. Compound 1-8 were also reported for the first time. The thermal and photophysical properties of 5-8 were investigated. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.028
• 作为产物：
  描述：

  2-叠氮基乙醇 、 2,2,4,4,6,6,8,8-八氯-2,2,4,4,6,6,8,8-八氢-1,3,5,7,2,4,6,8-四氮杂四磷杂环辛烯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以70%的产率得到2,2,4,4,6,6,8,8-octakis-(2′-azido-1′-ethoxy)-cyclotetraphosphazatetraene
  参考文献：
  名称：

  Syntheses, characterizations, thermal and photophysical properties of cyclophosphazenes containing adamantane units

  摘要：

  In this study, phenoxy-adamantane substituted cyclophosphazene compounds (5-8) were synthesized in three steps. Firstly; adamantane derivatives (1 and 2) containing alkyne groups were prepared. Secondly; 2,2,4,4,6,6-hexzakis-(2'-azido-1'-ethoxy)-cyclotriphosphazatriene (3) and 2,2,4,4,6,6,8,8-octakis-(2'-azido-1'-ethoxy)-cyclotetraphosphazatetraene (4) were synthesized from the nucleophilic substitutions of 2-azido-1-ethanol with trimer (N3P3Cl6) and tetramer (N4P4Cl8) in THF respectively. Thirdly; cyclophosphazenes containing adamantane units (5-8) were obtained by the Cu(I) catalyzed click reactions of cyclophosphazenes (3 and 4) with compounds 1 and 2. The structural investigations of newly synthesized compounds 1-8 were evaluated by elemental analysis and FT-IR (ATR), mass spectrometry, H-1, C-13, H-1-C-13 HSQC (for 6) and P-31 NMR (for 3-8) spectroscopies. Compound 1-8 were also reported for the first time. The thermal and photophysical properties of 5-8 were investigated. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.028