(E)-3-(4-Decyloxy-phenyl)-acrylic acid 4-formyl-phenyl ester | 76622-47-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-3-(4-Decyloxy-phenyl)-acrylic acid 4-formyl-phenyl ester
• 英文别名: (4-formylphenyl) 3-(4-decoxyphenyl)prop-2-enoate
• CAS: 76622-47-4
• 化学式: C₂₆H₃₂O₄
• 分子量: 408.538
• InChiKey: XITSFJTWCCDJMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  30
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  m-Octyloxyaniline 、 (E)-3-(4-Decyloxy-phenyl)-acrylic acid 4-formyl-phenyl ester 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  On the balance between syn- and anticlinicity in smectic phases formed by achiral hockey-stick mesogens with and without chiral dopants

  摘要：

  制备并表征了一系列非手性曲棍球棒状介晶，形成向斜 SmC 型和背斜 SmCa 型倾斜近晶液晶相。虽然所有同系物都表现出两个相，但在间位末端链伸长时，平衡从背斜顺序转变为向斜顺序，从而定义了曲棍球棒形状。伸长还导致顺斜相和背斜相之间转变的动力学阻碍增加以及转变焓降低。这些观察结果表明，明确的扭结（短间位取代链）促进了背斜结构，而扭结和棒状（长间位取代链）之间更高的灵活性促进了向斜有序。选择中间链长同系物作为主体材料，分别以不同浓度掺杂顺斜棒状手性掺杂剂和背斜棒状手性掺杂剂。与预期相反，顺斜序和背斜序之间的平衡并不简单地由掺杂剂的选择决定。相反，无论添加哪种手性材料，两种类型的倾斜顺序都以与非手性主体大致相同的强度为主，浓度远远超出正常掺杂条件。因此，至少对于曲棍球棒形状的非手性主体，顺斜和反斜手性化合物可以有效地用作手性掺杂剂，而不必对所得混合物的临床性产生重要影响。曲棍球棒设计概念应该可用于生产低偏振、长螺距反铁电液晶混合物的非手性反斜形成介晶。最后，我们指出，像这里进行的混合研究提供了一种确定非手性倾斜近晶临床性的决定性方法，这一努力有时可能绝非微不足道。

  DOI：

  10.1039/b820717h
• 作为产物：
  描述：

  4-癸氧基苯甲醛 在 哌啶 、 吡啶 、 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 (E)-3-(4-Decyloxy-phenyl)-acrylic acid 4-formyl-phenyl ester
  参考文献：
  名称：

  Synthesis and Mesomorphic Investigations of Liquid Crystalline Compounds Having a Benzothiazole Ring

  摘要：

  Two homologous series of calamitic liquid crystals containing a benzothiazole ring and two different linkages have been prepared, and their liquid crystalline properties are studied and compared with each other and those of similar structure. The mesogens with only the cinnamate linking group showed better thermal properties than those with an ester. Nematic and smectic phases were observed. All the compounds of both the series were characterized by elemental analysis, FT-IR, mass spectrometry, H-1-NMR, and C-13-NMR. Phase transition temperatures and the thermal parameters were obtained from differential scanning calorimetery (DSC). The textural observations were performed using hot-stage Polarizing Optical Microscopy (POM).

  DOI：

  10.1080/15421406.2013.766947

文献信息

• Synthesis, Characterization and Mesomorphic Properties of New Rod-like Thiophene Based Liquid Crystals
  作者：B. T. Thaker、B. S. Patel、Y. T. Dhimmar、D. B. Solnki、N. J. Chothani、N. B. Patel、K. B. Patel、U. Makavana

  DOI：10.1080/10426507.2012.673943

  日期：2012.8.22

  Two new mesogenic homologous series of Schiff base esters, 2-[4-(4'-n-Alkoxy benzoyloxy) benzylidenamino] 3-cyno thiophine (Series-A) and Schiff base cinnamates, 2-[4(4'-n-alkoxy cinnamoyloxy) benzylidenamino] 3-cyano thiophene (Series-B), comprising a thiophene moiety were synthesized. Structural elucidation was carried out using elemental analysis and spectroscopic techniques such as FT-IR, H-1-NMR and C-13-NMR, and mass spectrometry. The mesomorphic properties and thermal stabilities of the title compounds were studied by using differential scanning calorimetry and optical polarizing microscopy. All the derivatives are mesomorphic in nature showing the nematic phase, and the higher members of Series-A show a smectic C phase whereas Series-B exhibits only the nematic mesophase. The mesomorphic properties of the present series are compared with other structurally related compounds.
• New Mesogenic Homologous Series of Schiff Base Cinnamates Comprising Naphthalene Moiety
  作者：A. K. Prajapati、Viral Thakkar、Nilesh Bonde

  DOI：10.1080/10587250307066

  日期：2003.1.1

  New mesogenic homologous series of Schiff base cinnamates comprising a naphthalene moiety were prepared by condensing different 4(4'-n-alkoxy cinnamoyloxy) benzaldehydes with 2-amino naphthalene. All the synthesized compounds were characterized by combination of elemental analysis and spectroscopic techniques. All the homologues synthesized exhibit mesomorphism. The mesomorphic properties of the present series are compared with other structurally related series.
• Bialecka-Florjanczyk, Molecular Crystals and Liquid Crystals (1969-1991), 1982, vol. 82, # 1982, p. 243 - 246
  作者：Bialecka-Florjanczyk

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