| 123519-39-1

• 分子结构分类: 有机化合物 - 有机磷化合物
• CAS: 123519-39-1
• 化学式: C₄H₈Cl₁₀N₆O₂P₆
• 分子量: 712.519
• InChiKey: CVJMWGAOZQXQQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.89
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 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：

  1,4-丁二醇 在 吡啶 、 六氯环三磷腈 作用下， 以 乙醚 为溶剂， 以11%的产率得到4-(2,4,4,6,6-Pentachloro-2λ5,4λ5,6λ5-[1,3,5,2,4,6]triazatriphosphinin-2-yloxy)-butan-1-ol
  参考文献：
  名称：

  Alkubaisi, Abdulla H.; Parkes, Harold G.; Shaw, Robert A., Heterocycles, 1989, vol. 28, # 1, p. 347 - 358

  摘要：

  DOI：

文献信息

• Effect of chain length on the formation of intramolecular and intermolecular products: Reaction of diols with cyclotriphosphazene
  作者：Serap Beşli、Simon J. Coles、Derya Davarcı、David B. Davies、Fatma Yuksel

  DOI：10.1016/j.poly.2010.10.020

  日期：2011.2

  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.