[4-(2,6-Difluoro-4-propoxybenzoyl)oxyphenyl] 2,6-difluoro-4-propoxybenzoate | 1189397-90-7

• 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: [4-(2,6-Difluoro-4-propoxybenzoyl)oxyphenyl] 2,6-difluoro-4-propoxybenzoate
• CAS: 1189397-90-7
• 化学式: C₂₆H₂₂F₄O₆
• 分子量: 506.451
• InChiKey: QVPCNXQVRZSHQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,6-difluoro-4-propoxybenzoic acid 、 对苯二酚 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， 生成 [4-(2,6-Difluoro-4-propoxybenzoyl)oxyphenyl] 2,6-difluoro-4-propoxybenzoate
  参考文献：
  名称：

  Synthesis and Mesomorphic Properties of Two Series of Laterally Fluorinated Symmetric Ester Liquid Crystals

  摘要：

  Two series of symmetric ester liquid crystals (nAFBHQ and nADFBHQ) with lateral fluorine atoms have been synthesized. Their chemical structures were measured by FTIR, H-1 NMR, and elemental analysis (EA). Their mesomorphic properties were investigated by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). It was found that both series showed nematic phase only. And their melting point and clearing point decreased with the number of carbon atoms in alkoxy group. It can also be found that nAFBHQ have approximately the same temperatures of melting point but much higher temperatures of clearing point than their corresponding compound in nADFBHQ series.

  DOI：

  10.1080/15421400802198359