4-formylphenyl 4-hexyloxybenzoate | 56800-31-8

• 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-formylphenyl 4-hexyloxybenzoate
• 英文别名: 4-(4-hexyloxybenzoyloxy)benzaldehyde；4-(4'-n-Hexyloxybenzoyl-oxy) benzaldehyde；(4-formylphenyl) 4-hexoxybenzoate
• CAS: 56800-31-8
• 化学式: C₂₀H₂₂O₄
• 分子量: 326.392
• InChiKey: GVRJUQNXOBRHEU-UHFFFAOYSA-N

物化性质

• 熔点：
  71 °C(Solv: ethanol (64-17-5))
• 沸点：
  482.9±30.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-formylphenyl 4-hexyloxybenzoate 在 Jones reagent 作用下， 以 丙酮 为溶剂， 生成 4-(4-己氧基苯甲酰氧基)苯甲酸
  参考文献：
  名称：

  Synthesis and Characterization of Symmetrical Eight Aromatic Ring Containing Bent-Shaped Material Derived from Benzophenone

  摘要：

  A new family of symmetrical eight aromatic ring-containing bent-shaped mesogens in which the central elbow is a ketone has been synthesized and characterized. The effect of the side chain on the mesomorphism has been studied. All the bent derivatives were found to exhibit mesomorphism. The higher homologues of the series exhibit the B1 phase and the lower homologues of the series show the B6 phase.

  DOI：

  10.1080/15421406.2010.526450
• 作为产物：
  描述：

  4-己氧基苯甲酸 在 氯化亚砜 、 三乙胺 作用下， 以 乙醚 、 苯 为溶剂， 生成 4-formylphenyl 4-hexyloxybenzoate
  参考文献：
  名称：

  显示近晶C相的新型液晶同源系列

  摘要：

  合成了N-[4-(4-烷氧基苯甲酰氧基)亚苄基]-4-丁基苯胺及其2位羟基衍生物的液态结晶同系系列，然后使用差示扫描量热仪测定液晶相转变和偏光显微镜。所有成员都表现出向列相，对于具有较长烷氧基链的同系物可以观察到近晶C相。

  DOI：

  10.1246/bcsj.60.1153

文献信息

• The effects of molecular structure and functional group of a rodlike Schiff base mesogen on blue phase stabilization in a chiral system
  作者：Chiung-Cheng Huang、Yu-Chang Huang、Wei-Cheng Hsieh、Yen-Jung Chen、Shi-Kai Jiang、Bo-Hao Chen、I.-Jui Hsu、Jey-Jau Lee

  DOI：10.1039/c8nj04493g

  日期：——

  (type I) and –NC– (type III) linkages were prepared. These mesogens possessed either difluoro substitutions at the inner-core position of the phenyl ring or hydroxy group to form intramolecular hydrogen bonding with an ester or/and imine linkage. When the appropriate concentration of chiral additive is doped into them, the incorporation of two fluoro substituents is more useful for blue phase (BP) stabilization

  制备了两种具有–C N–（I型）和–NC C–（III型）键的消旋棒状席夫碱介晶。这些液晶元在苯环的内核位置或羟基上具有二氟取代基，以形成具有酯或/和亚胺键的分子内氢键。当向其中掺杂适当浓度的手性添加剂时，两个氟取代基的掺入比Schiff碱介晶中靠近酯键的羟基更有利于蓝相（BP）稳定。BPI和BPII可以通过反射光谱和偏振光学显微镜图像进行识别。当使用适当的手性掺杂剂ISO（6OBA）2时，BPII在冷却时很容易出现或将手性掺杂剂S811掺杂到仅在酯键附近具有羟基的席夫碱液晶元中。有趣的是，在加热过程中将10-15 wt％ISO（6OBA）2掺杂到二氟取代的席夫碱基液晶元III中时，可以观察到BPI 。实验和分子建模结果表明，在相同的手性条件下，大多数具有较大偶极矩的二氟化席夫碱介晶比其相应的非氟化同系物表现出更宽的BP范围。此外，手性体系中外消旋棒状席夫碱介晶I可以诱导宽BP ，这比外消
• Effect of the Functional Groups of Racemic Rodlike Schiff Base Mesogens on the Stabilization of Blue Phase in Binary Mixture Systems
  作者：Chiung-Cheng Huang、Zong-Ye Wu、Bing-Han Sie、We-Hao Chou、Yu-Chang Huang、Mei-Ching Yu、Bo-Hao Chen、I-Jui Hsu、Lai-Chin Wu、Jey-Jau Lee

  DOI：10.1021/acs.jpcb.6b09823

  日期：2016.12.15

  power into the racemic Schiff base mesogen possessing ester linkage. Cubic BPI and BPII can be confirmed by reflectance spectra and POM. The results of reflectance spectra indicate that the binary mixture composed of salicylaldimine-based mesogens and S811 easily exhibits a supercooling effect and induces BPI. However, only BPII can be observed in all binary mixtures containing Schiff base mesogens. On

  合成了四个具有不同烷基链和两种键（酯键和炔基键）的棒状外消旋席夫碱介晶，并将其应用于简单的二元混合体系中诱导立方蓝相（BPs）。这些席夫碱介晶的中间相通过变温X射线衍射和偏光显微镜（POM）的特征织构得到确认。通常，当将手性添加剂4-（4-己氧基苯甲酰氧基）苯甲酸S-（+）-2-辛基酯（S811； 20-40 wt％）添加到棒状外消旋水杨醛亚胺基介晶中时，可以观察到立方BP。它的温度范围大于20K。在由具有炔基键和35-40 wt％S811的棒状外消旋水杨基亚二胺基液晶元OH-TIn组成的混合混合物中，可以观察到立方BP的最宽温度范围（35 K）。然而，当添加等量的手性掺杂剂时，具有炔基键的席夫碱液晶元显示出直接的各向同性向手性向列相变。值得注意的是，在将40.0 wt％S811添加到具有末端烷基链和酯键的水杨醛亚胺基介晶中之后，BP的终止温度非常接近室温（约35°C）。有趣的是，还可以通过添加手性添加剂1
• The synthesis, mesomorphism and mesophase structure of anisotropic imines and their complexes with rhenium(i)
  作者：Xiao-Hua Liu、Benoît Henirich、Ian Manners、Daniel Guillon、Duncan W. Bruce

  DOI：10.1039/a908137b

  日期：——

  Highly anisotropic imine ligands have been synthesised and complexed to Re(I). Two series of ligands and complexes were obtained with various chain lengths, showing smectic and nematic phases for the ligands and only a nematic phase for the complexes. The identity of the crystal smectic phase in the ligands was studied by X-ray diffraction and identified as a crystal J phase.

  合成了高度各向异性的亚胺配体，并与Re(I)形成了络合物。获得了两系列配体和络合物，具有不同的链长，配体显示出层状相和向列相，而络合物仅显示向列相。通过X射线衍射研究了配体中的晶态层状相，并其被鉴定为晶态J相。
• Intercalated liquid-crystalline phases formed by symmetric dimers with an α,ω-diiminoalkylene spacer
  作者：Maja Šepelj、Andreja Lesac、Ute Baumeister、Siegmar Diele、H. Loc Nguyen、Duncan W. Bruce

  DOI：10.1039/b612517d

  日期：——

  Four series of symmetric, dimeric molecules with flexible α,ω-diiminoalkylene spacers have been synthesised and characterised by polarising optical microscopy, differential scanning calorimetry, and X-ray diffraction. The effects on the mesomorphism of the various alkylene spacer (number of methylene units m = 5 to 8) as well as the terminal alkoxy chain length (n = 4 to 14) on the mesomorphic properties have been studied. The compounds with an even-numbered spacer display, in addition to a nematic phase, various smectic phases whose nature depends on the ratio between the length of the terminal chain and the length of the spacer (n/m). A modulated Smà phase was found for the ratio n/m = 1 to 1.6 and a SmC/crystal G polymorphism emerges at n/m > 1.7. In contrast, all liquid-crystalline dimers with odd-numbered spacers display an intercalated B6 phase regardless of the chain length. The preference for intercalated structures is discussed based on dipolar considerations following electronic structure calculations using a model molecule.

  合成并表征了四系列对称的二聚体分子，这些分子具有灵活的α,ω-二氨基烷烃间隔基。通过偏振光学显微镜、差示扫描量热法和X射线衍射技术对其进行了表征。研究了不同烷烃间隔基（亚甲基单元数m=5至8）以及末端烷氧链长度（n=4至14）对其介晶特性的影响。具有偶数间隔基的化合物除了表现出一个向列相外，还展现出各种层状相，其性质取决于末端链的长度与间隔基长度之间的比率（n/m）。在比率n/m=1到1.6时发现了调制的SmA相，而在n/m>1.7时则出现了SmC/晶体G多型性。相反，所有具有奇数间隔基的液晶二聚体无论链长如何均表现出夹层B6相。基于使用模型分子的电子结构计算，讨论了夹层结构偏好的偶极考虑。
• New Liquid Crystalline Homologous Series Exhibiting the Smectic C Phase
  作者：Sakumitsu Sakagami

  DOI：10.1246/bcsj.60.1153

  日期：1987.3

  A liguid crystalline homologous series of N-[4-(4-alkoxybenzoyloxy)benzylidene]-4-butylanilines and their hydroxyl derivatives at the 2-position were synthesized, and then the liquid-crystalline-phase transitions were determined using a differential scanning calorimeter and a polarizing microscope. All of the members exhibit a nematic phase, and a smectic C phase can be observed for the homologues

  合成了N-[4-(4-烷氧基苯甲酰氧基)亚苄基]-4-丁基苯胺及其2位羟基衍生物的液态结晶同系系列，然后使用差示扫描量热仪测定液晶相转变和偏光显微镜。所有成员都表现出向列相，对于具有较长烷氧基链的同系物可以观察到近晶C相。