4-formylphenyldodecaneoate | 56217-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-formylphenyldodecaneoate
• 英文别名: 4-formylphenyl dodecanoate；(4-Formylphenyl) dodecanoate
• CAS: 56217-60-8
• 化学式: C₁₉H₂₈O₃
• 分子量: 304.43
• InChiKey: CYQGHYMSNIMHSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  419.6±28.0 °C(Predicted)
• 密度：
  1.002±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  22
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 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-formylphenyldodecaneoate 在 potassium permanganate 作用下， 以 水 、 丙酮 为溶剂， 反应 12.0h， 生成 (4-pentylphenyl) 4-dodecanoyloxybenzoate
  参考文献：
  名称：

  Neubert, Mary E.; Colby, Cynthia; Ezenyilimba, Matthew C., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 154, p. 127 - 150

  摘要：

  DOI：
• 作为产物：
  描述：

  月桂酸 在 N,N-二甲基甲酰胺 吡啶 、 三氯化磷 作用下， 生成 4-formylphenyldodecaneoate
  参考文献：
  名称：

  Kossmehl, Gerhard; Bahr, Juergen, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1991, vol. 46, # 2, p. 245 - 254

  摘要：

  DOI：

文献信息

• Calamitic-rod-shaped mesogens based on chalcone esters comprising varying alkoxy and lauryl ester chains: Synthesis, mesomorphism and computational study
  作者：Vinay S. Sharma、Sunil B. Patel、Anuj S. Sharma、R. B. Patel

  DOI：10.1080/15421406.2017.1393167

  日期：2017.10.13

  In this study we have synthesized a new class of compounds incorporating of chalconyl-ester and terminally substituted lauryl group. A series of new chalcones with three aromatic rings is synthesized and characterised 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 optical polarized light microscopy (POM) and confirmed by differential scanning calorimetry (DSC). It is found that all the prepared materials display enantiotropic LCs phases except first two homologue in present series. The lower member comp. (C-3 to C-6) display only SmC phase while comp. (C-7 to C-12) shows smectic C as well as nematic phase. The higher member comp. (C-14 to C-18) display only nematic phase in heating and cooling condition. To get more insights, the HOMO, LUMO studies are carried out which supports intramolecular charge transfer interactions in this class of mesogens.[GRAPHICAL].
• 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：——
• Kossmehl, Gerhard; Bahr, Juergen, Zeitschrift fur Naturforschung, B: Chemical Sciences, 1991, vol. 46, # 2, p. 245 - 254
  作者：Kossmehl, Gerhard、Bahr, Juergen

  DOI：——

  日期：——
• Neubert, Mary E.; Colby, Cynthia; Ezenyilimba, Matthew C., Molecular Crystals and Liquid Crystals (1969-1991), 1988, vol. 154, p. 127 - 150
  作者：Neubert, Mary E.、Colby, Cynthia、Ezenyilimba, Matthew C.、Jirousek, Michael R.、Leonhardt, Darrin、Leung, Katherine

  DOI：——

  日期：——