3,4,5-tris(octadecyloxy)benzoic acid | 126229-90-1

• 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(octadecyloxy)benzoic acid
• 英文别名: 3,4,5-tri(octadecyloxy)benzoic acid；3,4,5-tris(n-octadecan-1-yloxy)benzoic acid；Benzoic acid, 3,4,5-tris(octadecyloxy)-；3,4,5-trioctadecoxybenzoic acid
• CAS: 126229-90-1
• 化学式: C₆₁H₁₁₄O₅
• 分子量: 927.573
• InChiKey: YJLXJPHAFLSYKQ-UHFFFAOYSA-N

物化性质

• 沸点：
  871.7±60.0 °C(Predicted)
• 密度：
  0.913±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  27.9
• 重原子数：
  66
• 可旋转键数：
  55
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4,5-tris(octadecyloxy)benzoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 7.5h， 以90%的产率得到5-isocyanate-1,2,3-tris(octadecyloxy)benzene
  参考文献：
  名称：

  REAGENT FOR ORGANIC SYNTHESIS AND METHOD OF ORGANIC SYNTHESIS REACTION WITH THE REAGENT

  摘要：

  公开号：

  EP2003104B1
• 作为产物：
  描述：

  没食子酸 在 乙醇 、 硫酸 、 potassium carbonate 、 sodium iodide 、 potassium hydroxide 作用下， 以 丙酮 为溶剂， 反应 12.0h， 生成 3,4,5-tris(octadecyloxy)benzoic acid
  参考文献：
  名称：

  Columnar Liquid-Crystalline Phase from a Series of Symmetrical Bent Diphenylamine Derivatives: Synthesis and Characterization

  摘要：

  A series of symmetrical bent-shaped materials with six alkoxy chains at the terminal position has been designed and synthesized. All except one exhibit columnar mesophase behavior. The mesomorphic properties of the compounds have been studied with the help of polaralizing optical microscopy (POM) and differential scanning colorimetry (DSC) experiments.

  DOI：

  10.1080/15421400903568146

文献信息

• Green-Light-Triggered Phase Transition of Azobenzene Derivatives toward Reversible Adhesives
  作者：Zhen Wu、Chendong Ji、Xujie Zhao、Yilong Han、Klaus Müllen、Kai Pan、Meizhen Yin

  DOI：10.1021/jacs.9b01056

  日期：2019.5.8

  Studies on the azobenzene derivative based phase transitions mostly rely on photoisomerization, which require a long time to spontaneously revert back. Here we show a photothermal-driven solid-to-liquid transition and fast reversion of azobenzene derivatives. Owing to the aggregation of suitably substituted azobenzenes, solid-to-liquid transitions can be induced by photothermal effects under irradiation

  基于偶氮苯衍生物的相变研究大多依赖于光异构化，这需要很长时间才能自发回复。在这里，我们展示了光热驱动的固液转变和偶氮苯衍生物的快速回复。由于适当取代的偶氮苯的聚集，在绿光照射下，光热效应可以诱导固液转变。由于以纯物理方式释放热量，液态偶氮苯衍生物会在 2 分钟内再次自发固化。因此，人们获得了一种完全可逆的粘合，其强度与商业材料的强度一样高。我们的工作提供了一个新的概念，通过光诱导的有机化合物的相变来构建可逆粘合剂。
• Extended-Core Discotic Liquid Crystals Based on the Intramolecular H-Bonding in<i>N</i>-Acylated 2,2′-Bipyridine-3,3′-diamine Moieties
  作者：Anja R. A. Palmans、Jozef A. J. M. Vekemans、Hartmut Fischer、Rifat A. Hikmet、E. W. Meijer

  DOI：10.1002/chem.19970030220

  日期：1997.2

  new type of disc-shaped molecule (1 a-c) has been synthesised and characterised. The molecules were built up by linking three lipophilic, N-monoacylated 2,2'-bipyridine-3,3'-diamine wedges to a central 1,3,5-benzenetricarbonyl unit. They show liquid crystalline behaviour, as shown by DSC, polarisation microscopy and X-ray diffraction. In all cases the mesophase was characterised as a Dho phase. From

  一种新型的盘状分子（1 ac）已经合成并表征。通过将三个亲脂性的N-单酰化的2,2'-联吡啶-3,3'-二胺楔连接到一个中心1,3,5-苯三羰基单元来构建分子。它们显示出液晶行为，如DSC，偏振显微镜和X射线衍射所示。在所有情况下，中间相均被表征为Dho相。从（1）H NMR结果表明，由于强分子内H键，化合物1ac的内部优先采用C3对称构象，从而形成扩展的核。这个大核诱导了分子之间的强相互作用，从而导致中间相增强了热稳定性。
• Effect of central linkages on mesophase behavior of imidazolium-based rod-like ionic liquid crystals
  作者：Xiaohong Cheng、Fawu Su、Rong Huang、Hongfei Gao、Marko Prehm、Carsten Tschierske

  DOI：10.1039/c2sm06854k

  日期：——

  Two series of phenylbenzylether and benzanilide based rod-like imidazolium bromides and their nonionic precursors, the 1-phenyl-1H-imidazoles have been synthesized and the influence of the number and length of the alkyl chain(s) and the structure of the linking group in the aromatic core (–CH2O–, –COO–, –CONH–) on their mesophase self-assembly in ionic liquid crystalline phases were studied by POM, DSC and XRD. Upon decreasing the length of the N-terminal chain or by enlarging the number and length of the C-terminal chains, the sequence smectic (SmA)–hexagonal columnar (Colhex)–micellar cubic (CubI/Pm3n) was found for the ether based imidazolium salts; while only SmA and Colhex phases were observed for the related amides. The influence of the polarity of the central linkages, namely –CH2O– and –CONH–, on the mesophase structure and stability is discussed and compared with related –COO– connected ILC.

  合成了两系列基于苯基苄醚和苯腈的棒状咪唑鎓溴化物及其非离子前体1-苯基-1H-咪唑，并研究了烷基链的数量和长度以及芳香核心中连接基团（–CH2O–、–COO–、–CONH–）的结构对其在离子液晶相中的介相自组装的影响，采用了偏光显微镜（POM）、差示扫描量热仪（DSC）和X射线衍射（XRD）等技术。当减少N-末端链的长度或增加C-末端链的数量和长度时，对于基于醚的咪唑鎓盐，发现了层状相（SmA）–六角柱状相（Colhex）–胶束立方相（CubI/Pm3n）的序列；而相关的酰胺仅观察到SmA和Colhex相。讨论了中心链接的极性（即–CH2O–和–CONH–）对介相结构和稳定性影响，并与相关的–COO–连接的离子液晶进行了比较。
• FLUORENE COMPOUND
  申请人：TAKAHASHI Daisuke

  公开号：US20100240867A1

  公开（公告）日：2010-09-23

  Particular compounds having a fluorene skeleton are superior in broad utility and stability, as a protecting reagent for liquid phase synthesis of amino acids and/or peptides.

  具有芴骨架的特定化合物在广泛的应用和稳定性方面优越，作为氨基酸和/或肽液相合成的保护试剂。
• PRECIPITATION PROMOTER AND PRECIPITATION METHOD IN WHICH SAME IS USED
  申请人：AJINOMOTO CO., INC.

  公开号：US20170320904A1

  公开（公告）日：2017-11-09

  Precipitation promoters, which are an organic compound having one or more linear aliphatic hydrocarbon groups having not less than 10 carbon atoms, wherein the aliphatic hydrocarbon group has not less than 20 carbon atoms in total are useful for precipitating an organic compound protected by an organic group having one or more aliphatic hydrocarbon groups having not less than 10 carbon atoms from a solvent.

  沉淀促进剂是一种有机化合物，具有一个或多个线性脂肪烃基，至少含有10个碳原子，其中脂肪烃基总计含有不少于20个碳原子，对于从溶剂中沉淀具有一个或多个脂肪烃基，至少含有10个碳原子的有机基保护的有机化合物是有用的。