N,N',N''-tripentyl-1,3,5-benzenetricarboxylic acid amide

• 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''-tripentyl-1,3,5-benzenetricarboxylic acid amide
• 英文别名: N,N',N''-tripentyl-1,3,5-benzenetricarboxamide；1-N,3-N,5-N-tripentylbenzene-1,3,5-tricarboxamide
• 化学式: C₂₄H₃₉N₃O₃
• 分子量: 417.592
• InChiKey: TWRDREKMBUKWHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  87.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N,N',N''-tripentyl-1,3,5-benzenetricarboxylic acid amide 在 sodium tetrahydroborate 、 三氯氧磷 作用下， 生成 N,N',N''-tripentyl-benzene-1,3,5-trimethanamine
  参考文献：
  名称：

  低聚胺的血小板聚集抑制和抗凝作用，第 32 部分低聚胺的抗菌作用

  摘要：

  在体外测试了属于六 (1-6) 种结构不同类型的 24 种低聚胺对 14 种不同细菌种类的抗菌活性，共 187 种菌株。10 种化合物能够在浓度 ⩽10 μmol/L 时抑制至少一种菌株的生长。对于三种化合物，某些菌株的最低抑菌浓度甚至低于 1 μmol/L。明确的构效关系表明抑制作用取决于连接氮原子的桥、氮的取代以及一个分子中存在的氮原子数。N-4-苯基丁基、N-辛基和N-壬基等取代基最活跃，而短（丁基）和长（十二烷基）取代基降低或消除了活性。此处测试的低聚胺的抗菌谱涵盖革兰氏阳性（例如金黄色葡萄球菌、单核细胞增生李斯特菌、枯草芽孢杆菌）和革兰氏阴性（例如大肠杆菌、柠檬酸杆菌属、不动杆菌属）微生物。作用类型被归类为杀菌作用。由于添加寡胺后立即完全抑制生长，因此可能与细菌细胞膜相互作用。

  DOI：

  10.1002/ardp.19963290308
• 作为产物：
  描述：

  1,3,5-苯三甲酰氯 、 1-氨基戊烷 在 吡啶 、 lithium chloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以59%的产率得到N,N',N''-tripentyl-1,3,5-benzenetricarboxylic acid amide
  参考文献：
  名称：

  1,3,5-苯-和1,3,5-环己烷三甲酰胺的相行为和中间相结构：过渡到各向同性相时对失去顺序的理解。

  摘要：

  超分子化学中最简单，最通用的基元之一是基于1,3,5-苯三甲酰胺。核心结构的变化和侧向取代基结构的细微变化控制着自组装并决定了相行为。本文中，我们提供了一系列包含直链和支链烷基取代基的1,3,5-苯和1,3,5-环己烷甲酰胺的相行为和中间相结构的全面比较。取决于取代基，形成了不同的结晶相，塑性结晶相和液晶相。在相对罕见的柱状向列型（N Ç）相仅在含有线性烷基取代基的环己烷基三酰胺中观察到。在液晶超分子系统中，最基本的兴趣是从介晶态到各向同性态的转变，尤其是如何降低阶数的问题。温度相关的红外光谱和XRD测量表明，各向同性相中仍存在柱状H键结合的聚集体。在清理过渡时，主要失去了侧向顺序，而仍然保留了较短的柱状骨料。对相行为和中间相结构的透彻了解与选择在器件中使用超分子结构或用作原纤纳米材料的加工条件有关。

  DOI：

  10.1002/chem.201103216

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。
• DABCO-Induced Self-Assembly of a Trisporphyrin Double-Decker Cage:  Thermodynamic Characterization and Guest Recognition
  作者：Pablo Ballester、Ana I. Oliva、Antoni Costa、Pere M. Deyà、Antonio Frontera、Rosa M. Gomila、Christopher A. Hunter

  DOI：10.1021/ja060608t

  日期：2006.4.1

  This paper describes the thermodynamic characterization of the self-assembly of a Zn trisporphyrin induced by coordination with 1,4-diazabicyclo[2.2.2]octane (DABCO) to form a stable 2:3 double-decker molecular coordination cage that recognizes benzene- 1, 3,5-tricarboxamides. The self-assembly process has been studied using UV-vis and (1)H NIVIR spectroscopy and quantitatively characterized in terms of a single stability constant that describes the strength of the individual coordination interactions and two effective molarities (EM) that describe the additional stability imparted by intramolecular cyclization. The EM values of the two consecutive cyclic intramolecular interactions are very similar. At micromolar concentrations, the formation of the fully assembled coordination cage is highly favored over the formation of intermediate species stabilized by fewer interactions, and so self-assembly is an all-or-nothing process. In contrast, at millimolar concentrations, the relative stability of intermediate species increases, leading to a stepwise self-assembly process, and a 2:2 intermediate can be clearly identified using (1)H NIVIR spectroscopy. The molecular recognition of benzene-1,3,5-tricarboxam ides by the cage was investigated using (1)H NMR spectroscopy. The tricarboxamides bind inside the central cavity of the cage complex, and isothermal titration calorimetry (ITC) allowed the quantification of the stoichiometry and binding affinities.
• POLYPROPYLENE RESIN COMPOSITION
  申请人：OOBAYASHI Yoshiaki

  公开号：US20110301268A1

  公开（公告）日：2011-12-08

  A polypropylene resin composition, comprising (A) 51 to 99% by weight of a propylene polymer having a melt flow rate of 10 to 200 g/10 minutes, and containing 0.1 to 40% by weight of an ethylene unit and/or α-olefin unit having 4 to 10 carbon atoms and 60 to 99.9% by weight of a propylene unit, (B) 1 to 49% by weight of an ethylene polymer having density of 0.85 to 0.93 g/cm 3 , and (C) 0.001 to 5 parts by weight of an amide compound as a nucleating agent.
• US8492468B2
  申请人：——

  公开号：US8492468B2

  公开（公告）日：2013-07-23