ω-[4-(p-methoxybenzoyloxy)phenoxycarbonyl]valeric acid | 853055-30-8

• 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: ω-[4-(p-methoxybenzoyloxy)phenoxycarbonyl]valeric acid
• 英文别名: ω-[4-(p-methoxybenzoloxy)phenoxycarbonyl]valeric acid；6-(4-(4-methoxybenzoyloxy)phenoxy)-6-oxohexanoic acid；6-[4-(4-Methoxybenzoyl)oxyphenoxy]-6-oxohexanoic acid；6-[4-(4-methoxybenzoyl)oxyphenoxy]-6-oxohexanoic acid
• CAS: 853055-30-8
• 化学式: C₂₀H₂₀O₇
• 分子量: 372.375
• InChiKey: ZNUYQENKVBVGCZ-UHFFFAOYSA-N

物化性质

• 沸点：
  579.5±45.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 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-methoxybenzoyloxy)phenoxycarbonyl]valeric acid 在 N,N-二甲基甲酰胺 氯化亚砜 作用下， 反应 5.0h， 生成
  参考文献：
  名称：

  Synthesis and mesomorphism of novel star-shaped glassy liquid crystals containing pentaerythritol esters

  摘要：

  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.

  DOI：

  10.1016/j.tetlet.2004.09.109
• 作为产物：
  描述：

  对苯二酚 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-methoxybenzoyloxy)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

• Mesomorphic properties of chiral nematic star-shaped liquid crystals containing melitose as cores
  作者：Mei Tian、Bao-Yan Zhang、Yue-Hua Cong、Xiao-Zhi He、Bing Zhang

  DOI：10.1016/j.molstruc.2009.08.026

  日期：2009.11

  Three star-shaped compounds (SSCs, c1-c3), are synthesized by using melitose as the chiral core and monacid (b1, b2 and b3) as side arms, respectively. The side arms (b1, b2 and b3), in which terminal chains are different, are introduced into the hydroxyl groups of melitose by esterification. respectively. The chemical structures of c1-c3 are confirmed by FT-IR and H-1 NMR. The roles played by the chiral core and the side arms in the mesomorphic properties of the SSCs are studied. b1 is not a liquid crystal (LC), while b2 and b3 are nematic LCs. c1 is not a LC, while c2 and c3 are star-shaped LCs (SSLCs) and exhibit fingerprint texture of chiral nematic. c1, c2 and c3 are all levo-SSCs, which are different from their parent cores. The absolute value of their specific rotation increases with the increase of the terminal chain length of the side arms. The melting temperature of SSCs decreases with the increase of the terminal chain length of the side arms. For c2-c3, their mesomorphic region increases with the increase of the terminal chain length of the side arms. The results suggest that the LC properties of the side arms play an important role in inducing LC properties of the SSCs and the chiral core induces the chiral nematic of SSLCs, which contain the nematic LCs as the side arms. (C) 2009 Elsevier B.V. All rights reserved.