N,N',N''-trioctadecylbenzene-1,3,5-tricarboxamide | 107976-02-3

• 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: N,N',N''-trioctadecylbenzene-1,3,5-tricarboxamide
• 英文别名: 1,3,5-Benzenetricarboxamide, N,N',N''-trioctadecyl-；1-N,3-N,5-N-trioctadecylbenzene-1,3,5-tricarboxamide
• CAS: 107976-02-3
• 化学式: C₆₃H₁₁₇N₃O₃
• 分子量: 964.64
• InChiKey: XWQZDVWVFGEVBR-UHFFFAOYSA-N

物化性质

• 熔点：
  207 °C
• 沸点：
  946.9±60.0 °C(Predicted)
• 密度：
  0.916±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  26.3
• 重原子数：
  69
• 可旋转键数：
  54
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3,5-苯三甲酰氯 、 十八胺 生成 N,N',N''-trioctadecylbenzene-1,3,5-tricarboxamide
  参考文献：
  名称：

  Remarkable Viscoelasticity of Organic Solvents Containing Trialkyl-1,3,5-benzenetricarboxamides and Their Intermolecular Hydrogen Bonding

  摘要：

  在有机溶剂中加入三烷基-1,3,5-苯三甲酰胺后，观察到粘度显著上升；通过粘度测量、傅里叶变换红外光谱和晶体中的 X 射线分子结构，讨论了高粘弹性溶液的形成。

  DOI：

  10.1246/cl.1997.429

文献信息

• Design of Novel Mesomorphic Compounds:<i>N</i>,<i>N</i>′,<i>N</i>″-Trialkyl-1,3,5-benzenetricarboxamides
  作者：Yoshio Matsunaga、Nobuhiko Miyajima、Yuichi Nakayasu、Satoshi Sakai、Michihiro Yonenaga

  DOI：10.1246/bcsj.61.207

  日期：1988.1

  N,N′-Dialkyl-1,4-benzenedicarboxamides melt with anomalously small enthalpy changes. The 1,3-analogs behave similarly but at lower temperatures. These observations provide a clue to design novel mesomorphic compounds; N,N′,N″-trialkyl-1,3,5-benzenetricarboxamides. The compounds carrying pentyl to octadecyl groups melt at temperatures between 49 and 119 °C depending upon the alkyl chain length. The clearing points are located above 200 °C. The unoriented liquid crystals show X-ray diffraction patterns consisting of two major peaks. The inner sharp peak gives a spacing, which increases as the series is ascended, from 1.40 to 2.26 nm. The outer one is sharp in the pentyl and hexyl derivatives but diffuse in the higher homologous members. The second moments of the broad-line proton NMR spectra measured above the melting points are as small as a few hundredths G2 and firmly establish the liquid-like characteristics of the alkyl chains.

  N,N′-二烷基-1,4-苯二甲酰胺的熔化伴随着异常小的焓变。其1,3-类似物在较低温度下表现出类似的行为。这些观察为设计新型的介质化合物提供了线索；即N,N′,N″-三烷基-1,3,5-苯三甲酰胺。携带戊基至十八烷基的化合物的熔化温度在49至119°C之间，具体取决于烷基链的长度。清晰点位于200°C以上。未定向的液晶显示出由两个主要峰组成的X射线衍射图案。内侧的尖锐峰的间距随着系列的升高而增加，从1.40 nm到2.26 nm。外侧的峰在戊基和己基衍生物中是尖锐的，但在更高同系物中则是弥散的。熔化点以上测得的宽线质子核磁共振谱的二阶矩小至几百分之G²，从而坚实地确立了烷基链的液态特性。
• Nucleators for crystallizable thermoplastic polymers
  申请人：Universität Bayreuth

  公开号：EP0940431A1

  公开（公告）日：1999-09-08

  Disclosed are compositions comprising nucleators for crystallizable thermoplastic polymers and, in particular, nucleators that comprise moieties that are capable of forming intermolecular hydrogen bonds and that are thermally stable, and the use thereof.

  公开了包含可结晶热塑性聚合物成核剂的组合物，特别是包含可形成分子间氢键且热稳定的分子的成核剂及其用途。
• Solution casting method and polymer film
  申请人：Sugiura Masaru

  公开号：US20050077648A1

  公开（公告）日：2005-04-14

  A solvent in which dichloromethane is mixed with alcohol as a poor solvent is used for preparing a dope. Alcohol is supplied to the dope in a inline pipe to mix with a static mixer, such as a casting dope in which a composition of alcohol is increased. The temperature of the rotary drum is adjusted to −7° C. The casting dope is fed from a casting die to the rotary drum so as to form a casting film whose thickness is 40 μm. Since the content of alcohol is high and a storage modulus of the cooled casting film is at least 150 thousands Pa, the peeling defect does not occur, and the stretch is reduced as far as possible. A gel-like film is dried by a tenter type drying device, and stretched such that the stretch ratio is at most 110%. The produced film is thin and excellent in a surface condition and optical isotropy.

  二氯甲烷与作为劣质溶剂的酒精混合的溶剂用于制备涂料。酒精通过内联管道供应到涂料中，与静态混合器混合，如增加酒精成分的铸造涂料。将浇注料从浇注模具送入旋转滚筒，以形成厚度为 40 μm 的浇注膜。由于酒精含量高，冷却后的浇注膜的储存模量至少为 15 万帕，因此不会出现剥离缺陷，拉伸也尽可能减小。凝胶状薄膜由拉幅机干燥，拉伸率不超过 110%。生产出的薄膜很薄，表面状态和光学各向同性都很好。
• Remnant Polarization in Thin Films from a Columnar Liquid Crystal
  作者：Carel F. C. Fitié、W. S. Christian Roelofs、Martijn Kemerink、Rint P. Sijbesma

  DOI：10.1021/ja101734g

  日期：2010.5.26

  Ferroelectric switching is demonstrated in a hydrogen bonded columnar liquid crystalline (LC) material. Polar order induced in the LC phase can be frozen by crystallization of the alkyl chains in the periphery of the columns yielding thin films with remnant polarization and an unprecedented high surface potential as shown by scanning Kelvin probe microscopy.
• RADIATION-CURABLE INKJET INK COMPOSITION
  申请人：OCE Holding B.V.

  公开号：EP3216836B1

  公开（公告）日：2019-05-08