4-(3,4,5-tridodecyloxybenzoyloxy)phenol | 934823-89-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-(3,4,5-tridodecyloxybenzoyloxy)phenol
• 英文别名: (4-Hydroxyphenyl) 3,4,5-tridodecoxybenzoate
• CAS: 934823-89-9
• 化学式: C₄₉H₈₂O₆
• 分子量: 767.186
• InChiKey: GIZNOZDUADDTAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.6
• 重原子数：
  55
• 可旋转键数：
  39
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3,5-苯三甲酰氯 、 4-(3,4,5-tridodecyloxybenzoyloxy)phenol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以57%的产率得到1,3,5-tris(3,4,5-tridodecyloxybenzoyloxy-4'-phenyloxycarbonyl)benzene
  参考文献：
  名称：

  星形低聚苯甲酸酯：形成柱状螺旋中间相的非常规介晶。

  摘要：

  合成了具有间苯三酚或均苯三酸核心和具有最多五个重复单元的寡苯甲酸酯臂的星形液晶元。这些非常规的液晶元在很宽的温度范围内形成各种柱状中间相。液晶相通过光学显微镜，差示扫描量热法，X射线衍射，膨胀计和固态NMR光谱来表征。除了高温六角形柱状相，柱状自组装体在冷却时会起伏并因此形成较高阶的以人体为中心的正交矩形柱状3D结构。提出了一种E形折叠的构象异构体，沿着圆柱螺旋状位移的模型。六角相中的螺旋形预组织先于过渡到低温相。

  DOI：

  10.1002/chem.200700922
• 作为产物：
  描述：

  没食子酸甲酯 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢氧化钾 、 氢气 、 potassium carbonate 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 110.5h， 生成 4-(3,4,5-tridodecyloxybenzoyloxy)phenol
  参考文献：
  名称：

  The synthesis and mesomorphism of di-, tetra- and hexa-catenar liquid crystals based on 2,2′-bipyridine

  摘要：

  2,2'-联吡啶已知可与多种金属中心配位。本文合成了液晶态的二链（二联）、四链（四联）和六链（六联）联吡啶，并描述了它们的介晶性质。对于四联联吡啶，合成了一系列完整的同系物，从四甲氧基到四十四烷氧基，相图显示了从短链长度的向列相和近晶C相，经过立方相到柱状相的经典演化过程。

  DOI：

  10.1039/a706400d

文献信息

• Molecular Factors Responsible for the Formation of the Axially Polar Columnar Mesophase ColhPA
  作者：Joanna Matraszek、Jozef Mieczkowski、Damian Pociecha、Ewa Gorecka、Bertrand Donnio、Daniel Guillon

  DOI：10.1002/chem.200601192

  日期：2007.4.16

  of hexacatenar bent-shape molecules has been systematically modified in order to determine the main molecular factors responsible for the appearance of the axially polar columnar mesophase. It was found that the stability of the polar phase is very sensitive to the subtle modifications of the molecular shape: the phase is solely preserved if the modification is made at the terminal parts of the mesogenic

  为了确定引起轴向极性柱状中间相出现的主要分子因素，已对六邻苯二酚弯曲形分子的结构进行了系统性的修饰。发现极性相的稳定性对分子形状的细微修饰非常敏感：如果在介晶核的末端部分进行修饰，则仅保留该相，而任何其他修饰都会使相不稳定。可以得出结论，驱动平的超分子盘制成的相与圆锥形单元制成的轴向极性相之间过渡的主要因素是满足紧密堆积条件的能力，以消除相邻分子刚性核之间的空隙。
• Tuning the Polarization Along Linear Polyaromatic Strands for Rationally Inducing Mesomorphism in Lanthanide Nitrate Complexes
  作者：Emmanuel Terazzi、Laure Guénée、Pierre-Yves Morgantini、Gérald Bernardinelli、Bertrand Donnio、Daniel Guillon、Claude Piguet

  DOI：10.1002/chem.200601389

  日期：2007.2.12

  complexes [Ln(L 4C12)(NO3)3] (Ln=La-Lu) vanishes in [Ln(L 5C12)(NO3)3], despite superimposable molecular structures and comparable photophysical properties. Density functional theory (DFT) and time-dependant DFT calculations performed in the gas phase show that the inversion of the ester spacers has considerable effects on the electronic structure and polarization of the aromatic groups along the strands,

  棒状配体L 4C12（苯并咪唑-OOC-苯基）和L 5C12（苯并咪唑-COO-苯基）中酯间隔基的相反取向会极大地改变芳族体系的电子结构，而不会影响其经向三价配位的三价镧系元素Ln （III），以及它们的热致液晶（即，同晶）行为。但是，尽管[Ln（L 5C12）（NO3）3]具有重叠的分子结构和可比的光物理性质，但它们由[Ln（L 4C12）（NO3）3]（Ln = La-Lu）络合物表现出的丰富的同质性消失了。在气相中进行的密度泛函理论（DFT）和随时间变化的DFT计算表明，酯间隔基的倒置对沿链的芳族基团的电子结构和极化有很大影响，控制残余分子间的相互作用导致热致液晶相的形成。根据经验，贫电子和富电子芳环的交替有利于刚性核之间的分子间相互作用，因此有利于同构，这是L 4C12，L 5C12，[Ln（L 4C12）（NO3）3]遇到的情况，但不适用于[Ln（L 5C12）（NO3）3]。从[Ln（L
• Thermotropic liquid crystals of 1H-imidazole amphiphiles showing hexagonal columnar and micellar cubic phases
  作者：Sang Hyuk Seo、Jun Ha Park、Gregory N. Tew、Ji Young Chang

  DOI：10.1016/j.tetlet.2007.07.187

  日期：2007.9

  The linear and polycatenar type 1H-imidazole amphiphiles showing a strong self-assembly tendency to build various supramolecular structures in bulk were synthesized by the esterification reaction of 4'-alkyloxy phenols (for 1-4) and hydroxyphenyl trialkyloxybenzoates (for 5-7) with 4-chlorocarbonyl imidazole. The linear 1H-imidazole amphiphiles formed thermotropic smectic phases, but compound 4 with an ethyl group instead of hydrogen on IN did not show a mesophase. The polycatenar type I H-imidazole amphiphiles (5-7) formed thermotropic hexagonal columnar and cubic phases. A phase transition was observed from a columnar phase to a cubic phase as the temperature increased on heating, and vice versa on cooling. In the POM study for compounds 57, optically isotropic phases first appeared on cooling from the isotropic melts, and then birefringent mesophases with a nonspecific texture appeared on further cooling. The X-ray analysis shows that the optically isotropic phases were very likely micellar cubic phases with Pm3n symmetry. The birefringent phases were confirmed as hexagonal columnar phases. (C) 2007 Elsevier Ltd. All rights reserved.
• DIAMINE COMPOUND, POLYAMIC ACID, SOLUBLE POLYIMIDE, COMPOSITION, WETTABILITY CHANGING FILM, ELECTRODE, AND METHOD OF MANUFACTURING A WETTABILITY CHANGING FILM
  申请人：Tano Takanori

  公开号：US20100184936A1

  公开（公告）日：2010-07-22

  Disclosed is a diamine compound represented by the following formula (1): wherein each of group A and group B is —O—, —COO—, —CONH—, or —OCO—; groups C are each independently —O—, —COO—, —CONH—, or —OCO—; and groups D are each independently a C1 to C20 linear, branched, or cyclic alkyl group unsubstituted or substituted with at least one halogen atom, or a certain dendritic group.
• The synthesis and mesomorphism of di-, tetra- and hexa-catenar liquid crystals based on 2,2′-bipyridine
  作者：Kathryn E. Rowe、Duncan W. Bruce

  DOI：10.1039/a706400d

  日期：——

  2,2′-Bipyridines are known to coordinate to a wide variety of metal centres. In this paper, liquid-crystalline two-chained (dicatenar), four-chained (tetracatenar) and six-chained (hexacatenar) bipyridines are synthesised and their mesomorphism is described. For the tetracatenar bipyridines, a full homologous series, from tetramethoxy to tetratetradecyloxy, was synthesised, and the phase diagram showed a classic progression from nematic and smectic C phases at short chain length, through a cubic phase to a columnar phase.

  2,2'-联吡啶已知可与多种金属中心配位。本文合成了液晶态的二链（二联）、四链（四联）和六链（六联）联吡啶，并描述了它们的介晶性质。对于四联联吡啶，合成了一系列完整的同系物，从四甲氧基到四十四烷氧基，相图显示了从短链长度的向列相和近晶C相，经过立方相到柱状相的经典演化过程。