2,2,4,4,6,6-tris(2',2'-bis(bromomethyl)-1',3'-propandioxy)cyclophosphazatriene | 1029338-12-2

• 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: 2,2,4,4,6,6-tris(2',2'-bis(bromomethyl)-1',3'-propandioxy)cyclophosphazatriene
• 英文别名: 3,3,11,11,18,18-Hexakis(bromomethyl)-1,5,9,13,16,20-hexaoxa-21-aza-7,14-diazanida-6lambda5-phospha-8,15-diphosphoniatrispiro[5.1.58.1.515.16]henicos-6(21)-ene；3,3,11,11,18,18-hexakis(bromomethyl)-1,5,9,13,16,20-hexaoxa-21-aza-7,14-diazanida-6λ5-phospha-8,15-diphosphoniatrispiro[5.1.58.1.515.16]henicos-6(21)-ene
• CAS: 1029338-12-2
• 化学式: C₁₅H₂₄Br₆N₃O₆P₃
• 分子量: 914.717
• InChiKey: GYPQWFUUAXKNFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  二溴新戊二醇 在 吡啶 、 六氯环三磷腈 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以48%的产率得到2,2-(2',2'-bis(bromomethyl)-1',3'-propandioxy)-4,4,6,6-tetrachlorocyclophosphazatriene
  参考文献：
  名称：

  The Reaction of Hexachlorocyclotriphosphazatriene with Bromoneopentyl Glycol

  摘要：

  In the present work, novel phosphazene derivatives, monospiro- (1), dispiro- (2), and trispiro-2,2-bis(bromomethyl)-1,3-propandioxy (3) substituted cyclotriphosphazatrienes were synthesized with the reaction of bromoneopentyl glycol(2,2-bis(bromomethyl)-1,3-propandiol) with hexachlorocyclotriphosphazatriene, N3P3Cl6. The structures of the compounds were determined by elemental analysis, mass spectrometry, H-1 and P-31 NMR spectroscopy. The thermal properties of the compounds (1), (2) and (3) were investigated by DSC and TGA.

  DOI：

  10.3987/com-07-11258

文献信息

• The Reaction of Hexachlorocyclotriphosphazatriene with Bromoneopentyl Glycol
  作者：Hanife Ibisoglu、Ferda Hacivelioglu、Adem Kili�

  DOI：10.3987/com-07-11258

  日期：——

  In the present work, novel phosphazene derivatives, monospiro- (1), dispiro- (2), and trispiro-2,2-bis(bromomethyl)-1,3-propandioxy (3) substituted cyclotriphosphazatrienes were synthesized with the reaction of bromoneopentyl glycol(2,2-bis(bromomethyl)-1,3-propandiol) with hexachlorocyclotriphosphazatriene, N3P3Cl6. The structures of the compounds were determined by elemental analysis, mass spectrometry, H-1 and P-31 NMR spectroscopy. The thermal properties of the compounds (1), (2) and (3) were investigated by DSC and TGA.