[3-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate | 619313-57-4

• 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: [3-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
• CAS: 619313-57-4
• 化学式: C₂₄H₂₀O₅
• 分子量: 388.42
• InChiKey: YVKFYRRDLHHJMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 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：

  大茴香酸 在 吡啶 、 氯化亚砜 作用下， 生成 [3-[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
  参考文献：
  名称：

  Synthesis and Mesogenic Behavior of Novel Liquid Crystals With a –CH˭CH–CO– Central Bridge

  摘要：

  A novel homologous series -3-[-4-n-alkoxy benzoyloxy] phenyl--4-methoxy benzoyl ethylene, which consists of 11 members, has been synthesised and the mesomorphic behavior studied in relation to the molecular structure. The pentyl to hexadecyl homologues are mesomorphic and the remaining homologues are non-mesomorphic. The pentyl, tetradecyl, and hexadecyl derivatives are only enantiotropic nematic, while the hexyl, octyl, decyl, and dodecyl homologue derivatives exhibit smectic mesomorphism in addition to the enantiotropic nematic phase. The transition and melting temperatures were determined by an optical polarizing microscope with a heating stage. Analytical and spectral data confirm the molecular structures. The texture of the nematic phase is of the threaded or Schlieren type and that of the smectic mesophase is a typical smectic A phase. The transition curves of the phase diagram behave in normal manner without showing an oddeven effect. The smectic and nematic thermal stabilities are 129.5 degrees C and 150.7 degrees C, respectively. The novel series is partly smectogenic and predominantly nematogenic with a middle-ordered melting type whose mesomorphic phase length varies from 7 degrees C to 46 degrees C. The mesomorphic properties are compared with other structurally similar homologous series.

  DOI：

  10.1080/15421406.2013.768884