4-heptylbenzoic acid 4-formylphenyl ester | 503446-72-8

• 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-heptylbenzoic acid 4-formylphenyl ester
• 英文别名: (4-Formylphenyl) 4-heptylbenzoate
• CAS: 503446-72-8
• 化学式: C₂₁H₂₄O₃
• 分子量: 324.42
• InChiKey: QKOIQRNRJSPLDA-UHFFFAOYSA-N

物化性质

• 沸点：
  472.6±38.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  2,3-双(羟基氨基)-2,3-二甲基丁烷硫酸盐 、 4-heptylbenzoic acid 4-formylphenyl ester 在 potassium carbonate 、 sodium periodate 作用下， 以 甲醇 为溶剂， 反应 24.05h， 以4%的产率得到
  参考文献：
  名称：

  Novel Radical Compounds Bearing Mesogenic Cores with Long Alkyl Substituents

  摘要：

  Series of aminoxyl radicals (TEMPO or nitronyl nitroxide radicals) bearing phenyl benzoate, troponoid, or biphenylcarbonitrile as mesogenic cores with long alkyl substituents were prepared. Although most aminoxyl radicals showed only weak antiferromagnetic interactions due probably to the remote spin centers as clarified by the X-ray analysis of 4a and no appreciable mesogenic phase was observed in each compound, an unusual magnetic transition from an original Curie-Weiss phase to another magnetic phase well-expressed by a singlet-triplet (ST) model was disclosed through the thermal transition in the 4'-undecyloxy-4-biphenylcarbonitrile derivative with oxocarbonyl-TEMPO 12b.

  DOI：

  10.1021/jo0206972
• 作为产物：
  描述：

  对正庚基苯甲酸 、 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-heptylbenzoic acid 4-formylphenyl ester
  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

• 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.
• Novel Radical Compounds Bearing Mesogenic Cores with Long Alkyl Substituents
  作者：Shin'ichi Nakatsuji、Hiroshi Ikemoto、Hiroki Akutsu、Jun-ichi Yamada、Akira Mori

  DOI：10.1021/jo0206972

  日期：2003.3.1

  Series of aminoxyl radicals (TEMPO or nitronyl nitroxide radicals) bearing phenyl benzoate, troponoid, or biphenylcarbonitrile as mesogenic cores with long alkyl substituents were prepared. Although most aminoxyl radicals showed only weak antiferromagnetic interactions due probably to the remote spin centers as clarified by the X-ray analysis of 4a and no appreciable mesogenic phase was observed in each compound, an unusual magnetic transition from an original Curie-Weiss phase to another magnetic phase well-expressed by a singlet-triplet (ST) model was disclosed through the thermal transition in the 4'-undecyloxy-4-biphenylcarbonitrile derivative with oxocarbonyl-TEMPO 12b.
• 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