2,4,4-tris(2-naphthylamino)-2,6,6,8,8-pentachlorocyclotetraphosphazene | 1610773-69-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,4,4-tris(2-naphthylamino)-2,6,6,8,8-pentachlorocyclotetraphosphazene
• CAS: 1610773-69-7
• 化学式: C₃₀H₂₄Cl₅N₇P₄
• 分子量: 783.728
• InChiKey: FLENGEOFLFZEHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.77
• 重原子数：
  46.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.53
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2,2,4,4,6,6,8,8-八氯-2,2,4,4,6,6,8,8-八氢-1,3,5,7,2,4,6,8-四氮杂四磷杂环辛烯 、 2-萘胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 96.0h， 以9%的产率得到(2-trans-6)-bis(2-naphthylamino)-2,4,4,6,8,8-hexachlorocyclotetraphosphazene
  参考文献：
  名称：

  Investigation of the structural properties of 2-naphthylamine substituted cyclotetraphosphazenes

  摘要：

  In the present study, 2-naphthylamine substituted cyclotetraphosphazenes were synthesized and characterized for the first time. The reaction of octachlorocyclotetraphosphazene (1) with 2-naphthylamine (2) was performed in a THF solution and gave eight products (3-10). All the 2-naphthylamine substituted cyclotetraphosphazene compounds (3-10) were fully characterized by elemental analysis, MALDI-TOF mass spectrometry, H-1, C-13 and P-31 NMR spectroscopies. The molecular structure of the non-geminal bis-substituted 2-naphthylamine cyclotetraphosphazene compound 3 (2-trans-6) was also determined by X-ray crystallography. Compounds 3. 4 and 8 could be formed by an S(N)2 mechanism. Compounds 5-7, 9 and 10 might be formed by both S(N)1 and S(N)2 reaction mechanisms. These mechanisms were supported by P-31 NMR and X-ray crystallography results. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.03.062