ω-[4-(p-propoxybenzoyloxy)phenoxycarbonyl]valeric acid | 853055-31-9

• 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: ω-[4-(p-propoxybenzoyloxy)phenoxycarbonyl]valeric acid
• 英文别名: ω-[4-(p-propoxybenzoloxy)phenoxycarbonyl]valeric acid；6-Oxo-6-[4-(4-propoxybenzoyl)oxyphenoxy]hexanoic acid；6-oxo-6-[4-(4-propoxybenzoyl)oxyphenoxy]hexanoic acid
• CAS: 853055-31-9
• 化学式: C₂₂H₂₄O₇
• 分子量: 400.428
• InChiKey: PWPPSBSUNKCCKY-UHFFFAOYSA-N

物化性质

• 沸点：
  594.8±45.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ω-[4-(p-propoxybenzoyloxy)phenoxycarbonyl]valeric acid 在 氯化亚砜 作用下， 以 四氢呋喃 、 吡啶 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 tri[ω-4-(p-propoxybenzoyloxy)phenoxycarbonyl]valeric acid phloroglucinol ester
  参考文献：
  名称：

  Structure and properties of novel three-armed star-shaped liquid crystals

  摘要：

  A series of novel three-armed star-shaped liquid crystals based on 1,3,5-trihydroxybenzene as a core and omega-[4-(p-alkoxybenzoloxy) phenoxycarbonyl]valeric acid as mesogenic arms were synthesized. Their chemical structures were confirmed by FTIR and H-1 NMR spectra, their mesomorphic properties and phase behavior were investigated using differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (XRD) measurements. The results show that the three-armed star-shaped liquid crystals exhibit a broad range of liquid crystalline phases at moderate temperature, no crystallization but vitrifying to form glass-forming mesogens during cooling from the isotropic melt. The formed crystals are glassy liquid crystals. The three-armed molecules are highly thermal stable and the mesomorphic ranges (Delta T) become wider as the terminal alkoxy chains become longer. Threadlike texture, a typical nematic phase, can be observed in the liquid crystalline state. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.057
• 作为产物：
  描述：

  4-丙氧基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 生成 ω-[4-(p-propoxybenzoyloxy)phenoxycarbonyl]valeric acid
  参考文献：
  名称：

  Structure and properties of novel three-armed star-shaped liquid crystals

  摘要：

  A series of novel three-armed star-shaped liquid crystals based on 1,3,5-trihydroxybenzene as a core and omega-[4-(p-alkoxybenzoloxy) phenoxycarbonyl]valeric acid as mesogenic arms were synthesized. Their chemical structures were confirmed by FTIR and H-1 NMR spectra, their mesomorphic properties and phase behavior were investigated using differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (XRD) measurements. The results show that the three-armed star-shaped liquid crystals exhibit a broad range of liquid crystalline phases at moderate temperature, no crystallization but vitrifying to form glass-forming mesogens during cooling from the isotropic melt. The formed crystals are glassy liquid crystals. The three-armed molecules are highly thermal stable and the mesomorphic ranges (Delta T) become wider as the terminal alkoxy chains become longer. Threadlike texture, a typical nematic phase, can be observed in the liquid crystalline state. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.01.057

文献信息

• Synthesis and mesomorphism of novel star-shaped glassy liquid crystals containing pentaerythritol esters
  作者：Dan-Shu Yao、Bao-Yan Zhang、Yuan-Hao Li、Wen-Qiang Xiao

  DOI：10.1016/j.tetlet.2004.09.109

  日期：2004.11

  A new class of star-shaped glassy nematic liquid crystals based on pentaerythritol as a flexible core and omega-[4-(p-alkoxybenzoloxy)phenoxycarbonyl]valeric acid as the side-chain mesogenic arms has been prepared. Their structures and mesomorphism have been investigated in detail. (C) 2004 Elsevier Ltd. All rights reserved.
• Structure and properties of novel three-armed star-shaped liquid crystals
  作者：Bao-Yan Zhang、Dan-Shu Yao、Fan-Bao Meng、Yuan-Hao Li

  DOI：10.1016/j.molstruc.2005.01.057

  日期：2005.5

  A series of novel three-armed star-shaped liquid crystals based on 1,3,5-trihydroxybenzene as a core and omega-[4-(p-alkoxybenzoloxy) phenoxycarbonyl]valeric acid as mesogenic arms were synthesized. Their chemical structures were confirmed by FTIR and H-1 NMR spectra, their mesomorphic properties and phase behavior were investigated using differential scanning calorimetry (DSC), polarizing optical microscopy (POM) and X-ray diffraction (XRD) measurements. The results show that the three-armed star-shaped liquid crystals exhibit a broad range of liquid crystalline phases at moderate temperature, no crystallization but vitrifying to form glass-forming mesogens during cooling from the isotropic melt. The formed crystals are glassy liquid crystals. The three-armed molecules are highly thermal stable and the mesomorphic ranges (Delta T) become wider as the terminal alkoxy chains become longer. Threadlike texture, a typical nematic phase, can be observed in the liquid crystalline state. (c) 2005 Elsevier B.V. All rights reserved.