ethyl p-(p-n-butyloxybenzoyloxy)benzoate | 90233-54-8

• 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: ethyl p-(p-n-butyloxybenzoyloxy)benzoate
• 英文别名: ethyl (p-n-butoxybenzoyloxy)benzoate；4-(Ethoxycarbonyl)phenyl 4-butoxybenzoate；(4-ethoxycarbonylphenyl) 4-butoxybenzoate
• CAS: 90233-54-8
• 化学式: C₂₀H₂₂O₅
• 分子量: 342.392
• InChiKey: NOPJGAGAVXIQMP-UHFFFAOYSA-N

物化性质

• 沸点：
  481.3±30.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-丁氧基苯甲酸 在 吡啶 、 氯化亚砜 作用下， 生成 ethyl p-(p-n-butyloxybenzoyloxy)benzoate
  参考文献：
  名称：

  Mesomorphism of Binary Systems of Nonmesogenic Compounds

  摘要：

  Three binary systems, each consisting of two nonmesogenic compounds, viz. p-tolual-p-phenetidine (M.P. 108.5 degrees C) [A] as the common component, and Methyl p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 119.0 degrees C) [B-1], Ethyl-p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 94.0 degrees C) [B-2], and n-Butyl p-(p'-n-butyloxy benzoyloxy) benzoate (M.P. 130.0 degrees C) [B-3] as the second component, respectively, are studied with a view to understand the effect of terminal groups on nematic and/or smectic mesomorphism. Latent transition temperatures (LTT) of the constituent components A, B-1, B-2, and B-3 were determined by extrapolation. Binary system (A + B-1) induces a nematogenic mesophase while binary systems (A + B-2) and (A + B-3) both induce a smectic mesophase in addition to a nematic mesophase. Phase diagrams of the binary systems under investigation are plotted for the mole percent of component (A) versus the transition temperatures of each binary system as determined from polarizing optical microscopy. The texture of the nematic mesophase is of threaded type and that of the smectic mesophase is focal-conic fan shaped of the type smectic-A. Components A, B-1, B-2, and B-3 were prepared by established methods. Analytical data support the structure of molecules under investigation. Melting points of the constituent components match with data reported earlier.

  DOI：

  10.1080/15421406.2011.604589