3,4,5-tris(hexadecyloxy)nitrobenzene | 393826-95-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4,5-tris(hexadecyloxy)nitrobenzene
• 英文别名: 3,4,5-tri(hexadecyloxy)nitrobenzene；1,2,3-Tris(hexadecyloxy)-5-nitrobenzene；1,2,3-trihexadecoxy-5-nitrobenzene
• CAS: 393826-95-4
• 化学式: C₅₄H₁₀₁NO₅
• 分子量: 844.4
• InChiKey: OAIFEFXQWHPEPO-UHFFFAOYSA-N

物化性质

• 熔点：
  78-80 °C
• 沸点：
  823.5±60.0 °C(Predicted)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  24.9
• 重原子数：
  60
• 可旋转键数：
  48
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  73.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4,5-tris(hexadecyloxy)nitrobenzene 在 palladium on activated charcoal 作用下， 生成 3,4,5-tris(hexadecyloxy)aniline
  参考文献：
  名称：

  异氰基铑(I)配合物的超分子组装：铑(I)…铑(I)相互作用、疏水-疏水相互作用和主客体化学的相互作用

  摘要：

  已发现一系列具有不同链长烷基取代基的四（异氰基）铑（I）配合物在改变浓度、温度和溶剂组成时表现出强烈的溶液状态聚集趋势。已经进行了与温度和溶剂相关的 UV-vis 吸收研究，并使用聚集模型分析了数据以阐明生长机制。发现聚集涉及广泛的 Rh(I)...Rh(I) 相互作用，这些相互作用在疏水-疏水相互作用的协同辅助下产生彩虹般的溶液聚集体颜色。值得注意的是，三个长烷基取代基的存在对于观察到的聚合协同性至关重要。在己烷-二氯甲烷溶剂混合物中观察到纳米板和纳米囊泡形式的分子组装，这是由于基于复合物的烷基链长度的不同形成机制引起的。Benzo-15-crown-5 部分已被纳入选择性钾离子结合以诱导二聚体形成和剧烈的颜色变化，使该系统成为潜在的比色和发光阳离子传感器以及离子控制超分子组装的构建块。

  DOI：

  10.1021/jacs.5b03396
• 作为产物：
  描述：

  3,4,5-tris(hexadecyloxy)benzene 在 硝酸 、 silica gel 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 以86%的产率得到3,4,5-tris(hexadecyloxy)nitrobenzene
  参考文献：
  名称：

  Preparation of a Highly Alkyl-Substituted Dicatechol Ligand and its Dinuclear Titanium(IV) Complex

  摘要：

  高度烷基取代的二酚衍生物10-H4是通过三苯基膦酸酯活化酰胺键形成和三氟乙酸促进的二氧杂环开环作为反应序列中的关键步骤制备的。化合物10-H4形成了一个三股螺旋型钛(IV)复合物K4[(10)3Ti2]，其具有极性中心双核复合物单元和非极性外围结构。

  DOI：

  10.1055/s-2001-18448

文献信息

• A New Class of Discotic Mesogens Derived from Tris(<i>N</i>-salicylideneaniline)s Existing in <i>C</i>₃<i>_h</i> and <i>C</i><i>_s</i> Keto-Enamine Forms
  作者：Channabasaveshwar V. Yelamaggad、Ammathnadu S. Achalkumar、D. S. Shankar Rao、S. Krishna Prasad

  DOI：10.1021/jo0712650

  日期：2007.10.1

  Two series of a unique class of columnar liquid crystals derived from tris(N-salicylideneaniline)s [TSANs] in which the proton and the electron interact with each other through the H-bonding environment are reported. The synthesis is carried out by condensing 1,3,5-triformylphloroglucinol with the respective dialkoxyanilines or trialkoxyanilines. H-1 NMR and H-1-H-1 COSY NMR studies revealed their existence as an inseparable mixture of two keto-enamine tautomeric forms with C-3h and C-s rotational symmetries instead of the expected enol-imine form. The influence of the number of peripheral alkoxy tails on the columnar mesomorphic behavior is investigated by using polarizing optical microscopy, differential scanning calorimetry, and X-ray scattering. The fluid/glassy columnar states probed for a number of representative compounds confirmed the D-6h (hexagonal) or D-2h (rectangular) symmetry of the columns. The electronic absorption and emission characteristics of these compounds have been studied in both mesomorphic and solution states. Of special interest, the photoluminescence spectra of solution and fluid/ glassy two-dimensional structure evidently disclose the promising light generating capability of these new discotics systems.
• Mesomorphic Dithiooxamide Complexes of Platinum(II)
  作者：Maria Chiara Aversa、Paola Bonaccorsi、Duncan W. Bruce、Francesco Caruso、Bertrand Donnio、Placido Giannetto、Daniel Guillon、Santo Lanza、Stefania Morrone

  DOI：10.1080/10587250008024795

  日期：2000.8.1

  Complexation of non-mesomorphic dithiooxamide ligands to Pt(II) leads to square planar complexes which exhibit mesomorphic properties. The synthesis of these complexes was accomplished in three steps: the formation of bisamides, starting from conveniently substituted anilines, their conversion into dithiooxamides and the reaction of these sulfur derivatives with [PtCl2(dmso)(2)]. Four, eight and twelve-chained complexes were obtained and their behaviour as potentially mesomorphic material was studied. The eight-chained complexes 21 (n = 12-16) and the twelve-chained complexes 22 (n = 8,11,13) exhibit columnar mesophases which have been characterised by optical microscopy, X-ray scattering and related miscibility studies.