4,4',4''-((ethane-1,1,1-triyltris(benzene-4,1-diyl))tris(oxy))tris(1-nitro-3-(trifluoromethyl)benzene) | 1095705-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4,4',4''-((ethane-1,1,1-triyltris(benzene-4,1-diyl))tris(oxy))tris(1-nitro-3-(trifluoromethyl)benzene)
• 英文别名: 1,1,1-tris[4-(4-nitro-2-trifluoromethylphenoxy)phenyl]ethane
• CAS: 1095705-01-3
• 化学式: C₄₁H₂₄F₉N₃O₉
• 分子量: 873.642
• InChiKey: CVWJPKNTEVBMMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  62.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  157.11
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  4,4',4''-((ethane-1,1,1-triyltris(benzene-4,1-diyl))tris(oxy))tris(1-nitro-3-(trifluoromethyl)benzene) 在 palladium 10% on activated carbon 、 肼 作用下， 以 乙醇 为溶剂， 以82.9%的产率得到1,1,1-tris[4-(4-amino-2-trifluoromethylphenoxy)phenyl]ethane
  参考文献：
  名称：

  Nonlinear optical hyperbranched polyaspartimide/montmorillonite nanocomposites based on reactive fluorine- or phosphorous-containing organoclays

  摘要：

  A series of novel hyperbranched polyaspartimide/organoclay nanocomposites were developed for second-order nonlinear optics. The hyperbranched polyaspartimides were synthesized from an azobenzene chromophore bis(4-aminopheny1(4-(4-nitrophenyl)-diazenyl)phenyl)amine (DAC; A(2) type monomer) and a 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide-containing trimaleimide (Dopo-trimaleimide; B3 type monomer) via Michael addition reaction. Moreover, reactive fluorine- and phosphorous-containing organoclays (F-montmorillonite, i.e. F-MMT and P-montmorillonite, i.e. P-MMT) which had been prepared by modifying the high aspect ratio silicate layers of MMTs with two different swelling agents 1,1,1-tris[4-(4-amino-2-trifluoromethylphenoxy)-phenyl]ethane (F-triamine) and (9,10dihydro-9-oxa-10-phosphaphenanthrene-10-yl)tris(4-aminophenyl)methane (P-triamine) were respectively incorporated into the nonlinear optical hyperbranched polyaspartimides. The organoclays were exfoliated and dispersed in the hyperbranched polyaspartimide films. The incorporation of exfoliated organoclay F-MMT could effectively enhance the electro-optical (60) coefficients and temporal stability of the hyperbranched polyaspartimides. The hyperbranched polyaspartimide/F-MMT nanocomposite exhibited temporal stability (r(33)(t)/r(33)(0) = 73%) at 100 degrees C, 60 coefficient r(33) of 20.9 pm/V, and optical loss of 3.0 dB/cm at 1310 nm. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2013.05.040
• 作为产物：
  描述：

  1,1,1-三(4-羟基苯基)乙烷 、 2-氯-5-硝基三氟甲苯 在 potassium carbonate 作用下， 以87.7%的产率得到4,4',4''-((ethane-1,1,1-triyltris(benzene-4,1-diyl))tris(oxy))tris(1-nitro-3-(trifluoromethyl)benzene)
  参考文献：
  名称：

  Nonlinear optical hyperbranched polyaspartimide/montmorillonite nanocomposites based on reactive fluorine- or phosphorous-containing organoclays

  摘要：

  A series of novel hyperbranched polyaspartimide/organoclay nanocomposites were developed for second-order nonlinear optics. The hyperbranched polyaspartimides were synthesized from an azobenzene chromophore bis(4-aminopheny1(4-(4-nitrophenyl)-diazenyl)phenyl)amine (DAC; A(2) type monomer) and a 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide-containing trimaleimide (Dopo-trimaleimide; B3 type monomer) via Michael addition reaction. Moreover, reactive fluorine- and phosphorous-containing organoclays (F-montmorillonite, i.e. F-MMT and P-montmorillonite, i.e. P-MMT) which had been prepared by modifying the high aspect ratio silicate layers of MMTs with two different swelling agents 1,1,1-tris[4-(4-amino-2-trifluoromethylphenoxy)-phenyl]ethane (F-triamine) and (9,10dihydro-9-oxa-10-phosphaphenanthrene-10-yl)tris(4-aminophenyl)methane (P-triamine) were respectively incorporated into the nonlinear optical hyperbranched polyaspartimides. The organoclays were exfoliated and dispersed in the hyperbranched polyaspartimide films. The incorporation of exfoliated organoclay F-MMT could effectively enhance the electro-optical (60) coefficients and temporal stability of the hyperbranched polyaspartimides. The hyperbranched polyaspartimide/F-MMT nanocomposite exhibited temporal stability (r(33)(t)/r(33)(0) = 73%) at 100 degrees C, 60 coefficient r(33) of 20.9 pm/V, and optical loss of 3.0 dB/cm at 1310 nm. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.polymer.2013.05.040