di-spiro 2,2,3,3-tetrafluoro-1,4-butanedioxycyclotriphosphazene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环化合物
• 英文名称: di-spiro 2,2,3,3-tetrafluoro-1,4-butanedioxycyclotriphosphazene
• 英文别名: 17,17-Dichloro-3,3,4,4,12,12,13,13-octafluoro-1,6,10,15-tetraoxa-8,18-diaza-16-azanida-7lambda5,17lambda5-diphospha-9-phosphoniadispiro[6.1.69.37]octadeca-7,17-diene；17,17-dichloro-3,3,4,4,12,12,13,13-octafluoro-1,6,10,15-tetraoxa-8,18-diaza-16-azanida-7λ5,17λ5-diphospha-9-phosphoniadispiro[6.1.69.37]octadeca-7,17-diene
• 化学式: C₈H₈Cl₂F₈N₃O₄P₃
• 分子量: 525.984
• InChiKey: FIEQTGIHNKAMNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  62.6
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  di-spiro 2,2,3,3-tetrafluoro-1,4-butanedioxycyclotriphosphazene 在 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  The synthesis and thermal properties of fluorodioxy-substituted N,N-spiro bridged cyclotriphosphazenes

  摘要：

  Fluorodioxy substituted mono-spiro (1a,b), di-spiro (2a,b) and mono-ansa (3a-c) cyclotriphosphazene derivatives were reacted with n-butylamine to obtain fluorodioxy cyclotriphosphazenes bearing a P-NH group. Then, the fluorodioxy cyclotriphosphazene derivatives containing one NH moiety (4a,b; 5a,5b and 6a-c) which can give a deprotonation reaction were treated with sodium hydride giving rise to new types of bis-cyclophosphazenes bridged with a four-membered cyclophosphazane ring in a spiro arrangement (7, 8, 9a,b and 10a-c). The deprotonation reactions of substituted cyclotriphosphazenes were investigated for the first time and rigid and stable spiro- and ansa-derivatives of N,N-spiro bridged biscyclotriphosphazenes were obtained. Additionally, the thermal stabilities of all new compounds were investigated and found that the thermal stability increases with the formation of N,N-spiro bridge. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.01.014

文献信息

• The syntheses of pyrazole amine substituted cyclotriphosphazenes: Spectroscopic and crystallographic characterizations
  作者：Duygu Palabıyık、Ceylan Mutlu Balcı、Serap Beşli

  DOI：10.1080/10426507.2020.1825432

  日期：2021.2.1

  reactions of hexachlorocyclotriphosphazene, N3P3Cl6 (1a) and di-spirodioxy cyclotriphosphazene derivative N3P3Cl2[OCH2(CF2)2CH2O]2 (1b) with 1-benzyl-1H-pyrazol-3-amine (2) were investigated. Two new pyrazole amine substituted cyclotriphosphazene derivatives (3a, b) were obtained. Both compounds (3a, b) have been characterized by elemental analysis, MALDI-TOF mass spectrometry, 1H, and 31P NMR spectroscopy

  摘要 六氯环三磷腈，N 3 P 3 Cl 6（1a）和二螺二氧基环三磷腈衍生物N 3 P 3 Cl 2 [OCH 2（CF 2）2 CH 2 O] 2（1b）与1-苄基-1H-的氨解反应研究了吡唑-3-胺（2）。获得了两种新的吡唑胺取代的环三磷腈衍生物（3a，b）。两种化合物（3a，b通过元素分析，MALDI-TOF质谱，1 H和31 P NMR光谱进行表征。通过单晶X射线晶体学证实了3a和3b的分子和晶体结构。对3a和3b的晶体结构进行了Hirshfeld表面分析，以确定分子之间的显着相互作用以及分子在晶体中的堆积性质。