4-tetradecanoyloxybenzaldehyde | 105482-63-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-tetradecanoyloxybenzaldehyde
• 英文别名: 4-formylphenyl tetradecanoate；(4-formylphenyl) tetradecanoate
• CAS: 105482-63-1
• 化学式: C₂₁H₃₂O₃
• 分子量: 332.483
• InChiKey: XBSOXTHRCOTQSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  24
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  4-tetradecanoyloxybenzaldehyde 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  “Effect of the linking unit on the calamitic-shaped liquid crystal: a comparative study of two homologous series of benzoate and cinnamate linked compounds”

  摘要：

  Two homologous series based on three linking groups have been synthesized and well characterized by elemental analyses and spectroscopic techniques such as Fourier transform infrared [FT-IR] and proton magnetic resonance magnetic resonance [H-1 NMR] spectroscopy. The mesomorphic properties of these compounds were observed by using optical polarized microscopy (POM) and confirmed by differential scanning calorimetry (DSC) analysis. In this present investigation, we have synthesized two homologous series viz. (E)-4-(3-(4-(tetra decanoyloxy) phenyl) acryloyl) phenyl-4-n-alkoxy benzoate (Series-1) and 4-((E)-3-(4-(((E)-3-(4-n-alkoxy phenyl) acryloyl) oxy) phenyl)-3-oxo prop-1-en-1-yl) phenyl tetradecanoate (Series-2). Both of the series are differing with respect to the first linking group. All the homologous in following series displays LC properties on heating as well as cooling condition except first four homologous (C-1 to C-4) in series-1 and six homologous (C-1 to C-6) in series-2. To get more insights, the HOMO, LUMO studies are carried out which supports intramolecular charge transfer interactions in this class of mesogens.

  DOI：

  10.1080/15421406.2019.1652009
• 作为产物：
  描述：

  对羟基苯甲醛 、 肉豆蔻酸 在 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 48.0h， 生成 4-tetradecanoyloxybenzaldehyde
  参考文献：
  名称：

  “Effect of the linking unit on the calamitic-shaped liquid crystal: a comparative study of two homologous series of benzoate and cinnamate linked compounds”

  摘要：

  Two homologous series based on three linking groups have been synthesized and well characterized by elemental analyses and spectroscopic techniques such as Fourier transform infrared [FT-IR] and proton magnetic resonance magnetic resonance [H-1 NMR] spectroscopy. The mesomorphic properties of these compounds were observed by using optical polarized microscopy (POM) and confirmed by differential scanning calorimetry (DSC) analysis. In this present investigation, we have synthesized two homologous series viz. (E)-4-(3-(4-(tetra decanoyloxy) phenyl) acryloyl) phenyl-4-n-alkoxy benzoate (Series-1) and 4-((E)-3-(4-(((E)-3-(4-n-alkoxy phenyl) acryloyl) oxy) phenyl)-3-oxo prop-1-en-1-yl) phenyl tetradecanoate (Series-2). Both of the series are differing with respect to the first linking group. All the homologous in following series displays LC properties on heating as well as cooling condition except first four homologous (C-1 to C-4) in series-1 and six homologous (C-1 to C-6) in series-2. To get more insights, the HOMO, LUMO studies are carried out which supports intramolecular charge transfer interactions in this class of mesogens.

  DOI：

  10.1080/15421406.2019.1652009

文献信息

• Synthesis of lipophilic tetraphenylporphyrins to design lipid-porphyrin ensembles
  作者：I. N. Fedulova、N. A. Bragina、N. V. Novikov、O. A. Ugol’nikova、A. F. Mironov

  DOI：10.1134/s106816200706009x

  日期：2007.11

  Synthesis of symmetrical meso-arylsubstituted porphyrins with long chain hydrophobic substituents in the phenyl rings was achieved. The lipoporphyrins can be used to design supramolecular lipid ensembles of nanometer size.
• SUGIURA, MICHIO;NISHIDA, MANABU;SUDO, FUMI, J. CHEM. SOC. JAP., CHEM. AND IND. CHEM., 1986, N 2, 197-200
  作者：SUGIURA, MICHIO、NISHIDA, MANABU、SUDO, FUMI

  DOI：——

  日期：——