4-hexylbenzoyloxy-4'-benzaldehyde | 62808-19-9

• 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-hexylbenzoyloxy-4'-benzaldehyde
• 英文别名: 4-Hexyl-benzoic acid 4-formyl-phenyl ester；(4-formylphenyl) 4-hexylbenzoate
• CAS: 62808-19-9
• 化学式: C₂₀H₂₂O₃
• 分子量: 310.393
• InChiKey: CLOVFAMJWUKIKK-UHFFFAOYSA-N

物化性质

• 沸点：
  460.9±38.0 °C(Predicted)
• 密度：
  1.095±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氰基丙烯酸乙酯 、 4-hexylbenzoyloxy-4'-benzaldehyde 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 0.05h， 生成
  参考文献：
  名称：

  Wolff, Rudolf; Weissflog, Wolfgang; Kresse, Horst, Zeitschrift fur Chemie, 1981, vol. 21, # 1, p. 33 - 34

  摘要：

  DOI：
• 作为产物：
  描述：

  4-己基苯甲酸 、 对羟基苯甲醛 在 草酰氯 、 三乙胺 作用下， 以 二氯甲烷 、 四氢呋喃 为溶剂， 生成 4-hexylbenzoyloxy-4'-benzaldehyde
  参考文献：
  名称：

  外消旋棒状席夫碱介晶的官能团对二元混合体系中蓝相稳定的影响。

  摘要：

  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

  DOI：

  10.1021/acs.jpcb.6b09823

文献信息

• Broad Nematic Phases with High Clearing Points
  作者：Maged A. Osman

  DOI：10.1002/hlca.19820650811

  日期：1982.12.15

  4-(4′dime thylaminobenzoyloxy)benzylidene-4″-cyanoanmlines were synthesized. They show broad nematic phases with high nematic isotropic transitions. Lateral Clsubstituents decrease the clearing points of these liquid crystals by about 80°. The intermediate 4-(4′-alkylbenzoyloxy)benzaldehydes are monotropic nematic.

  合成了直链的4-（4'-烷基苯甲酰氧基）-，4-（4'-甲基芳基苯甲酰氧基）-和4-（4'二苯硫基氨基苯甲酰氧基）亚苄基-4″-氰基亚胺。它们显示出具有高向列各向同性转变的宽向列相。横向Cl取代基使这些液晶的澄清点降低约80°。中间体4-（4'-烷基苯甲酰氧基）苯甲醛是单向性的向列型。
• Malthete, J.; Billard, J., 1976, vol. 34, p. 117 - 121
  作者：Malthete, J.、Billard, J.

  DOI：——

  日期：——
• Synthesis and Mesomorphic Properties of Fluorinated Schiff's Base Esters Containing Alkyl and Alkoxy End Groups
  作者：Qiang Wei、Huai Yang、Yanbin Wang

  DOI：10.1080/15421400802198268

  日期：2008.7.30

  Two series of fluorinated Schiff's base esters have been synthesized and characterized. Their chemical structures were identified by FTIR, 1H NMR, and elemental analysis (EA). Their mesomorphic properties were studied by polarizing optical, microscopy (POM) and differential scanning calorimeter (DSC). It was found that most of the compounds with alkyl end group exhibited enantiotropic smectic A and nematic phase; while that with alkoxyl behaved differently, some exhibited enantiotropic smectic A and nematic phase; others exhibited monotropic smectic A and enantiotropic nematic phase or unique enantiotropic nematic phase. And for both series, their melting point and clearing point temperature decreased and thermal ranges of mesophase increased with the length of their end groups (n). Furthermore, it was also found that the increase of n was propitious to the stability of smectic phase but went against for that of nematic.
• Tschierske, C.; Zaschke, H., Journal fur praktische Chemie (Leipzig 1954), 1988, vol. 330, # 1, p. 1 - 14
  作者：Tschierske, C.、Zaschke, H.

  DOI：——

  日期：——
• The Synthesis and Mesomorphism of Mesogenic Imines with Fluorocarbon Chains and their Complexes with Rhenium(I): New Materials with Cubic Phases
  作者：Marie-Andrée Guillevic、Thomas Gelbrich、Michael B. Hursthouse、Duncan W. Bruce

  DOI：10.1080/10587250108025766

  日期：2001.6.1

  In this paper, we describe the synthesis of some imine ligands bearing fluorinated chains and their metal complexes with Re(I). Whereas related ligands with hydrocarbon chains show nematic and S-C phases, the new ligands show S-A and S-C phases. However, when both terminal chains are fully fluorinated, then the ligand additionally show a cubic phase. Metal complexes of the fluorinated ligands show a S-A phase before decomposing.The mesomorphism of both the complexes and the ligands is discussed and the formation of cubic phases in these imines is explored in relation to other materials showing a cubic phase.