1,8-bis((2,4,4,6,6-pentachloro-1,3,5,2l5,4l5,6l5-triazatriphosphinin-2-yl)oxy)octane | 1269501-54-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,8-bis((2,4,4,6,6-pentachloro-1,3,5,2l5,4l5,6l5-triazatriphosphinin-2-yl)oxy)octane
• CAS: 1269501-54-3
• 化学式: C₈H₁₆Cl₁₀N₆O₂P₆
• 分子量: 768.627
• InChiKey: QZYXUICULGVJOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.45
• 重原子数：
  32.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  92.62
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1,8-辛二醇 在 sodium hydride 、 六氯环三磷腈 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 24.0h， 以58%的产率得到
  参考文献：
  名称：

  Effect of chain length on the formation of intramolecular and intermolecular products: Reaction of diols with cyclotriphosphazene

  摘要：

  The reactions of cyclotriphosphazene, N(3)P(3)Cl(6) (1), in a 1:1.2 stoichiometry with the sodium derivative of seven diols [ethane- (2a), 1,3-propane- (2b), 1,4-butane- (2c), 1,5-pentane- (2d.), 1,6-hexane- (2e), 1,8-octane- (2f) and 1,10-decane- (2g) diol] in THF solution at room temperature have been used to investigate the effect of chain length on the formation of reaction products. Although no new products were found for the reaction of 1 with diols 2a-c compared to those in the literature using other bases and solution conditions, the reactions of 1 with the diols 2d-g gave six different types of products, whose structures have been characterized by elemental analysis, mass spectrometry, I H and (31)P NMR spectroscopy; ansa compounds N(3)P(3)Cl(4)[O(CH(2))(n)O], (5d-5g): single-bridged compounds N(3)P(3)Cl(5)[O(CH(2))(n)O]N(3)P(3)Cl(5) (6d-6f); double-bridged compounds N(3)P(3)Cl(4)[O(CH(2))(n)O](2)N(3)P(3)Cl(4) (7d-7g, syn and anti) and triple-bridged compounds, N(3)P(3)Cl(3)[O(CH(2))(n)O](3)N(3)P(3)Cl(3) (8d-f). Where suitable single crystals were obtained, X-ray crystallographic studies confirmed the structures of two ansa compounds (5d and 5f), one single-bridged compound (6e), and five double-bridged compounds (meso-anti for 7d, 7e, 7f and meso-syn for 7d and 7f). (31)P NMR measurements of the reaction mixtures were used to quantify the formation of products for the reactions 1 with all the diols, 2a-g; it is found that, with increasing chain length of the diol, there is a decrease in the products formed by intramolecular reactions (spiro and ansa derivatives) and a concomitant increase in the amounts of products formed by intermolecular reactions (single-, double- and triple-bridged derivatives) of cyclophosphazene. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.10.020