4-丁氧苯甲酸-4-羟基苯酯 | 33905-62-3

• 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
• 中文名称: 4-丁氧苯甲酸-4-羟基苯酯
• 英文名称: p-Hydroxyphenyl-p-n-butyloxybenzoate
• 英文别名: 4-Hydroxyphenyl 4-butoxybenzoate；(4-hydroxyphenyl) 4-butoxybenzoate
• CAS: 33905-62-3
• 化学式: C₁₇H₁₈O₄
• 分子量: 286.328
• InChiKey: YIWBRSAYFRNTMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-丁氧苯甲酸-4-羟基苯酯 在 环己烷 、 20% palladium hydroxide-activated charcoal 、 4-甲基苯磺酸吡啶 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 丁酮 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  以s-三嗪环为中心的多功能超分子树状大分子：液晶，荧光和光电导性质

  摘要：

  新的液晶（LC）的树枝状聚合物已经通过氢键一个之间合成小号以三嗪为中心，由三（羟甲基）丙酸衍生而来的三个外围树枝状分子。已经合成具有非手性促生素单元的对称酸性树突，以得到具有三嗪的具有LC性质的3∶1配合物。为了获得具有光物理和电化学性质的树枝状大分子，已经合成了非手性树枝状分子，该非对称树枝状分子结合了非手性促生素单元和衍生自香豆素或pyr结构的活性部分。通过IR和NMR光谱数据证实了络合物的形成。通过差示扫描量热法，偏振光学显微镜和X射线衍射法研究了液晶性质。所有复合物均显示介晶特性，对于对称树突及其络合物而言，它们是近晶的；对于不对称树突及其树枝状化合物而言，它们是向列的。提出了主要基于X射线衍射研究的层状中间相的超分子模型。通过循环伏安法研究了树枝状配合物的电化学行为。还研究了化合物的UV / Vis吸收和发射性质以及树枝状和树枝状聚合物的光电导性质

  DOI：

  10.1002/chem.201402646
• 作为产物：
  描述：

  4-丁氧基苯甲酸 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 4-丁氧苯甲酸-4-羟基苯酯
  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

• 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。
• 1,1?-Disubstituted Ferrocene-Containing Thermotropic Liquid Crystals of structure [Fe{(?5-C5H4)COOC6H4XC6H4OCnH2n+1}2] (X ? OOC or COO). Influence of the orientation of the central ester function on the mesogenic properties
  作者：Robert Deschenaux、Jean-Lue Marendaz、Julio Santiago

  DOI：10.1002/hlca.19930760210

  日期：1993.3.24

  The two series I and II of 1,1′ -disubstituted ferrocenes which differ by the direction of the ester function included in the rigid organic part were synthesized and their liquid crystal properties examined. These latter were found to be strongly dependent on the orientation of the connecting ester group and on the alkyl chain length.

  合成了在刚性有机部分中包括的酯功能的方向不同的1，1′-二取代的二茂铁的两个系列I和II，并且研究了它们的液晶性质。已发现后者很大程度上取决于连接酯基的取向和烷基链长。
• Synthesis and Characterization of Two Phenyl Ring Core-Based Thiophene Mesogens
  作者：M. Kesava Reddy、K. Subramanyam Reddy、M. Prakash、T. Narasimhaswamy

  DOI：10.1080/15421406.2013.790635

  日期：2013.10.1

  Novel thiophene mesogens built with two phenyl ring core and alkoxy terminal chains are synthesized by multistep route. The phenyl ring core is connected to thiophene by ester unit at (a) 2-position and (b) 3-position to yield 2-series of mesogens. The structural characterization of them is accomplished by using spectroscopy tools and the mesophase characteristics are evaluated by HOPM and DSC. The C-13 chemical shifts of representative mesogens calculated from DFT by quantum chemical calculations are compared with experimental C-13 chemical shifts and further utilized for structural assignment of core unit carbons. A good agreement between calculated and experimental values is noticed. An enantiotropic nematic phase is confirmed for all the mesogens and accordingly threaded nematic texture in HOPM is observed and is supported by DSC transition enthalpy values. The mesophase as well as thermal stabilities of the mesogens are discussed with reference to terminal chain length and position of the linking unit on thiophene.
• Tschierske, Carsten; Joachimi, Detlev; Zaschke, Horst, Zeitschrift fur Chemie, 1988, vol. 28, # 8, p. 303 - 304
  作者：Tschierske, Carsten、Joachimi, Detlev、Zaschke, Horst

  DOI：——

  日期：——
• Troponoid Twin Dimers with Four Rings: Synthesis and Mesomorphic Properties
  作者：Akira Mori、Manabu Takemoto、Seiji Ujiie

  DOI：10.1080/15421400490434982

  日期：2004.1

  Twin-type troponoids with two benzene and two tropone rings were prepared, They showed nematic phases when the inner and the side chains are short. while smectic A phases appear when the inner chain becomes long. Twins with long side chains and a short inner chain had smectic C phases. From, X-ray diffraction study, molecular packing models are proposed. The Corresponding benzenoid twins showed nematic and smectic C phases with higher thermal stability than the troponoids.