2,2-bis-(1'-naphthylamino)-4,4,6,6-tetrachlorocyclotriphosphazene | 1132680-43-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,2-bis-(1'-naphthylamino)-4,4,6,6-tetrachlorocyclotriphosphazene
• 英文别名: 2,2-bis(1-naphthylamino)-4,4,6,6-tetrachlorocyclotriphosphazene
• CAS: 1132680-43-3
• 化学式: C₂₀H₁₆Cl₄N₅P₃
• 分子量: 561.114
• InChiKey: ANNKKKRXZFJOQR-UHFFFAOYSA-N

物化性质

• 熔点：
  190 °C
• 密度：
  1.68±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.32
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.14
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-萘胺 在 六氯环三磷腈 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 120.0h， 以12%的产率得到2,2-bis-(1'-naphthylamino)-4,4,6,6-tetrachlorocyclotriphosphazene
  参考文献：
  名称：

  1-萘氧基和 1-萘氨基取代的环三磷腈的合成、表征和荧光现象

  摘要：

  已检查了六氯环三磷腈 N3P3Cl6 (1) 与 1-萘酚和 1-萘胺的反应。1与1-萘氧基钠反应以高产率得到六(1-萘氧基)环三磷腈(2)。由 1 与 1-萘胺反应得到孪生 2,2-二(1-萘基氨基)-4,4,6,6-四氯环三磷腈 (3)。磷腈衍生物的结构通过元素分析、FTIR、UV-可见光和1H、13C、31P NMR光谱确定。在 THF 和 CH2Cl2 中测量化合物的荧光强度。© 2008 Wiley Periodicals, Inc. 杂原子化学 19:158–162, 2008; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.20400

  DOI：

  10.1002/hc.20400

文献信息

• Syntheses and characterizations of cyclotriphosphazenes containing 1-naphthyl derivatives
  作者：Hanife İbişoğlu、Ali Metin Güzel

  DOI：10.1016/j.poly.2015.07.033

  日期：2015.11

  In the present work, a series of cyclotriphosphazenes containing 1-naphthyl derivatives (3, 4, 5, 7, 8 and 9) was synthesized. Mono-(3), geminal bis-(4) and tetrakis (5) 1-naphthylamino substituted cyclotriphosphazenes were synthesized from the reactions of hexachlorocyclotriphosphazene (N3P3Cl6) with 1-naphthylamine. Geminal bis-(7), tetrakis (8) and hexakis (9) 1-thionaphthoxy derivatives were obtained from the reactions of N3P3Cl6 with 1-naphthylthiol. The structures of the compounds (3, 4, 5, 7, 8 and 9) were determined by elemental analysis, mass and (H-1, P-31) NMR spectroscopies. Molecular and crystal structures of 3, 4, 5, 7 and 9 were also characterized by X-ray crystallography. The compounds (3, 5, 7, 8 and 9) were synthesized and characterized for the first time. Compounds 7-9 were reported as the first examples for cyclophosphazenes containing thionapthyl groups in the literature. The crystal structure of compound 4 was reported for the first time. (C) 2015 Elsevier Ltd. All rights reserved.