2,4-((2',2',3',3',4',4'-hexafluoro-1',5'-pentanedioxy)-2,4,6,6-tetrachloro)cyclotriphosphazene

• 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: 2,4-((2',2',3',3',4',4'-hexafluoro-1',5'-pentanedioxy)-2,4,6,6-tetrachloro)cyclotriphosphazene
• 英文别名: 1,9,11,11-Tetrachloro-4,4,5,5,6,6-hexafluoro-2,8-dioxa-12,13-diaza-10-azanida-1lambda5,11lambda5-diphospha-9-phosphoniabicyclo[7.3.1]trideca-1(13),11-diene；1,9,11,11-tetrachloro-4,4,5,5,6,6-hexafluoro-2,8-dioxa-12,13-diaza-10-azanida-1λ5,11λ5-diphospha-9-phosphoniabicyclo[7.3.1]trideca-1(13),11-diene
• 化学式: C₅H₄Cl₄F₆N₃O₂P₃
• 分子量: 486.829
• InChiKey: ZPVQNXINCHNHJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  2,4-((2',2',3',3',4',4'-hexafluoro-1',5'-pentanedioxy)-2,4,6,6-tetrachloro)cyclotriphosphazene 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

• Ansa versus spiro selectivity in substitution reactions of a mono ansa fluorodioxycyclotriphosphazene derivative with diols
  作者：Ceylan Mutlu、Serap Beşli、Fatma Yuksel

  DOI：10.1016/j.poly.2015.07.025

  日期：2015.11

  In this study, regio-selectivity in the nucleophilic substitution reactions of a mono ansa fluorodioxycyclotriphosphazene derivative with dials has been investigated. The cyclotriphosphazene derivative, N3P3Cl4[OCH2(CF2)(3)CH2O] (1), was reacted with the disodium salts of 1,3-propanediol andtetraethyleneglycol in THF solution at a 1:1 M ratio and eight new products (2-6, 7a, 7b and 8) were formed. These products were separated and characterized by elemental analysis, mass spectrometry, H-1 and P-31 NMR spectroscopy. The crystal structures of 2, 3, 5, 6 and 7a have been characterized by X-ray crystallography. The spiro derivatives (3, 6) were formed as the major product in the reactions of compound 1 with both diols. (C) 2015 Elsevier Ltd. All rights reserved.