13,13-Dichloro-1,4,8,11-tetraoxa-6,12,14-triaza-5lambda5,7lambda5,13lambda5-triphosphadispiro[4.1.47.35]tetradeca-5,7(12),13-triene | 104931-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧磷杂环戊烷
• 英文名称: 13,13-Dichloro-1,4,8,11-tetraoxa-6,12,14-triaza-5lambda5,7lambda5,13lambda5-triphosphadispiro[4.1.47.35]tetradeca-5,7(12),13-triene
• 英文别名: 13,13-dichloro-1,4,8,11-tetraoxa-6,12,14-triaza-5λ5,7λ5,13λ5-triphosphadispiro[4.1.47.35]tetradeca-5,7(12),13-triene
• CAS: 104931-60-4
• 化学式: C₄H₈Cl₂N₃O₄P₃
• 分子量: 325.952
• InChiKey: FGEQITXCCWVPJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  74
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-羟基吡啶 、 13,13-Dichloro-1,4,8,11-tetraoxa-6,12,14-triaza-5lambda5,7lambda5,13lambda5-triphosphadispiro[4.1.47.35]tetradeca-5,7(12),13-triene 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 72.0h， 以80%的产率得到
  参考文献：
  名称：

  新的二螺-二吡啶氧基-环三磷腈配体及其Ag（I）配位聚合物：结构和热稳定性

  摘要：

  成功合成了新的双螺-二吡啶基氧基-环三磷腈配体（L），用AgPF 6处理合成的配体得到了一种新的配位聚合物，即{[Ag（L）]·（PF 6）·（CH 3 CN）} n（1）在目前的研究中。使用包括红外和核磁共振波谱，质谱和元素分析在内的多种分析技术对L进行了全面表征。另外，L和1通过X射线晶体学确定。缓慢蒸发正己烷CH 2 Cl 2L的（3：1）溶液在具有P 21 / n空间群的单斜晶系中产生块状晶体，而在乙腈中具有P bmc空间群的正交晶体组织了1。大号表明κ 3 Ñ协调模式有Ag（I）中的复合离子1给出一维链（1D）的聚合结构。红外光谱显示，与游离配体（L）相比，复合物（1）的PN拉伸频率显示出一些变化。对L和配位聚合物1的TGA分析表明，L的热稳定性比复数（1）高。

  DOI：

  10.1016/j.jorganchem.2017.05.021
• 作为产物：
  描述：

  乙二醇 在 吡啶 、 六氯环三磷腈 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以15%的产率得到13,13-Dichloro-1,4,8,11-tetraoxa-6,12,14-triaza-5lambda5,7lambda5,13lambda5-triphosphadispiro[4.1.47.35]tetradeca-5,7(12),13-triene
  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.
• Contractor, Sorab R.; Hursthouse, Michael B.; Parkes, Harold G., Phosphorus and Sulfur and the Related Elements, 1983, vol. 18, p. 149 - 154
  作者：Contractor, Sorab R.、Hursthouse, Michael B.、Parkes, Harold G.、Shaw, Leyla S.、Shaw, Robert A.、Yilmaz, Hamza

  DOI：——

  日期：——