2,4,6,6-tetrachloro-2,4-(hexane-1,6-dioxy)cyclotriphosphazatriene | 1269501-31-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2,4,6,6-tetrachloro-2,4-(hexane-1,6-dioxy)cyclotriphosphazatriene
• CAS: 1269501-31-6
• 化学式: C₆H₁₂Cl₄N₃O₂P₃
• 分子量: 392.913
• InChiKey: WFAYVLYLJGBPPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  18.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  55.54
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,4,6,6-tetrachloro-2,4-(hexane-1,6-dioxy)cyclotriphosphazatriene 、 四甲基胍 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 32.5h， 以55%的产率得到
  参考文献：
  名称：

  非宝石-己二氧基四氯环三磷腈与 2-(2-羟乙基)噻吩、苯甲醇和 1,1,3,3-四甲基胍的反应。衍生产品的光谱研究

  摘要：

  摘要 研究了非宝石-己二氧基四氯环三磷腈 (1) 与单官能亲核试剂、2-(2-羟乙基) 噻吩 (2)、苯甲醇 (3) 和 1,1,3,3-四甲基胍 (4) 的反应。使用过量的 NaH，在 THF 溶液中，在回流条件下以 1:2 的摩尔比进行反应，可以合成以下新型环三磷腈衍生物：2,4-二氯-2,4-(己烷-1,6-二氧基)-6,6-[2-(2-乙氧基)噻吩]-环三磷氮杂三烯，N3P3Cl2[O(CH2)6O-(C6H8OS)2](5)；2,4-(己烷-1,6-二氧基)-2,4,6,6-[2-(2-乙氧基)噻吩]-环三磷氮杂三烯，N3P3[O(CH2)6O-(C6H8OS)4](6 ); 2,4-二氯-2,4-(己烷-1,6-二氧基)-6,6-(甲氧基苯)-环三磷氮杂三烯，N3P3Cl2[O(CH2)6O-(C6H5CH2O)2](7)；2,4-(己烷-1,6-二氧基)-2,4,6,6-(甲

  DOI：

  10.1080/10426507.2019.1571493
• 作为产物：
  描述：

  1,6-己二醇 在 吡啶 、 六氯环三磷腈 作用下， 以 四氢呋喃 为溶剂， 反应 37.0h， 以48%的产率得到
  参考文献：
  名称：

  非宝石-己二氧基四氯环三磷腈与 2-(2-羟乙基)噻吩、苯甲醇和 1,1,3,3-四甲基胍的反应。衍生产品的光谱研究

  摘要：

  摘要 研究了非宝石-己二氧基四氯环三磷腈 (1) 与单官能亲核试剂、2-(2-羟乙基) 噻吩 (2)、苯甲醇 (3) 和 1,1,3,3-四甲基胍 (4) 的反应。使用过量的 NaH，在 THF 溶液中，在回流条件下以 1:2 的摩尔比进行反应，可以合成以下新型环三磷腈衍生物：2,4-二氯-2,4-(己烷-1,6-二氧基)-6,6-[2-(2-乙氧基)噻吩]-环三磷氮杂三烯，N3P3Cl2[O(CH2)6O-(C6H8OS)2](5)；2,4-(己烷-1,6-二氧基)-2,4,6,6-[2-(2-乙氧基)噻吩]-环三磷氮杂三烯，N3P3[O(CH2)6O-(C6H8OS)4](6 ); 2,4-二氯-2,4-(己烷-1,6-二氧基)-6,6-(甲氧基苯)-环三磷氮杂三烯，N3P3Cl2[O(CH2)6O-(C6H5CH2O)2](7)；2,4-(己烷-1,6-二氧基)-2,4,6,6-(甲

  DOI：

  10.1080/10426507.2019.1571493

文献信息

• Phosphorus-nitrogen compounds: Reinvestigation of the reactions of hexachlorocyclotriphosphazene with 1,4-butane- and 1,6-hexane-diols—NMR studies of the products
  作者：Sedat Ture

  DOI：10.1080/10426507.2016.1160238

  日期：2016.8.2

  1:2:4, and 1:3:6) stoichiometries in THF solution at room temperature (r.t.) and under refluxing conditions yield a total of 15 products: two open chain, N3P3Cl5[O(CH2)nOH] (n = 4, 6) (4, 5), two mono-spiro, N3P3Cl4[O(CH2)nO] (n = 4, 6) (6, 7), two mono-ansa, N3P3Cl4[O(CH2)nO] (n = 4,6) (8, 9), two dispiro, N3P3Cl2[O(CH2)nO]2 (n = 4, 6) (10, 11), two spiro-ansa, N3P3Cl2[O(CH2)nO]2 (n = 4, 6) (12, 13),

  图形摘要摘要六氯环三磷腈 N3P3Cl6 (1) 与 1,4-丁烷-(2) 和 1,6-己二醇 (3) 在 (1:1:2、1:2:4 和 1:3) 中的反应： 6) 在室温 (rt) 和回流条件下在 THF 溶液中的化学计量产生总共 15 种产物：两个开链，N3P3Cl5[O(CH2)nOH] (n = 4, 6) (4, 5)，两个单-spiro, N3P3Cl4[O( )nO] (n = 4, 6) (6, 7), 两个单-ansa, N3P3Cl4[O( )nO] (n = 4,6) (8, 9),两个dispiro，N3P3Cl2[O( )nO]2 (n = 4, 6) (10, 11)，两个spiro-ansa，N3P3Cl2[O( )nO]2 (n = 4, 6) (12, 13 )，一个三螺，N3P3[O( )4O]3 (14)，两个单桥接，N3P3Cl5[O( )nO]N3P3Cl5
• 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.