4-Octyloxy-benzoic acid 4-acetyl-phenyl ester | 55097-86-4

• 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: 4-Octyloxy-benzoic acid 4-acetyl-phenyl ester
• 英文别名: (4-acetylphenyl) 4-octoxybenzoate
• CAS: 55097-86-4
• 化学式: C₂₃H₂₈O₄
• 分子量: 368.473
• InChiKey: KQABLQXIBNZVLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-甲基-5-氧代-1-苯基-4H-吡唑-4-甲醛 、 4-Octyloxy-benzoic acid 4-acetyl-phenyl ester 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 4-(3-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)acryloyl)phenyl 4-(octyloxy)benzoate
  参考文献：
  名称：

  New Liquid Crystalline Compounds Involving Ester-Chalcone Linkages Having 1,3,5-Trisubstituted Pyrazole as a Terminal Group

  摘要：

  Mesogens with chalcone central linkage are rare. It has been observed that -CO-CH=CH- linkage is less conducive to mesomorphism compared to -CH=N-(azomethine), -COO- (ester), -N=-(azo) linkages due to the non linearity and angle strain arising from the keto group. But when -CO-CH=CH- linkage is present with other central linkages it becomes condusive to mesomorphism. In the present investigation two homologous series were synthesized having chalcone as a one of the central linkage. The homologous series have been derived from 1,3,5-trisubstituted pyrazole, p-hydroxy acetophenone, and alkoxy acid. Viz. 4(4 '-n-alkoxybenzoloxy) phenyl-propane-3-one(1-phenyl-3-methyl-2-pyrazoline-5-one) [series-I] and 4(4 '-n-alkoxybenzoloxy) phenyl-propane-3-one(1-phenyl(4 ''-methyl)-3-methyl-2-pyrazoline-5-one) [series-II]. The compounds of the both series have been characterized by elemental analyses, FT-IR, H-1-NMR, and Mass spectrometry methods. Their liquid crystalline properties have been investigated by optical polarizing microscopy and DSC studies. All the derivatives are mesomorphic in nature. C-1 to C-5 of both the series exhibit only nematic phase. C-6 to C-8 in series-I and C-7 & C-8 in series-II exhibit smectic as well as nematic phase. Whereas C-10-C-16 in series-I and C-8-C-16 in series-II showing only smectic phase.

  DOI：

  10.1080/15421400903065549
• 作为产物：
  描述：

  1-溴辛烷 在 氯化亚砜 作用下， 以 吡啶 、 乙醇 为溶剂， 反应 2.0h， 生成 4-Octyloxy-benzoic acid 4-acetyl-phenyl ester
  参考文献：
  名称：

  回收中元物质——VIII：等位构型的制备与专有

  摘要：

  描述了各种等距介晶化合物的合成和介晶性质。已经证实，根据极性刚性核的位置，等距的介晶分子可能是致线虫的和/或带血晶的。

  DOI：

  10.1016/s0040-4020(01)92351-8

文献信息

• MALTHETE, J.;CANCEILL, J.;GABARD, J.;JACQUES, J., TETRAHEDRON, 1981, 37, N 16, 2815-2821
  作者：MALTHETE, J.、CANCEILL, J.、GABARD, J.、JACQUES, J.

  DOI：——

  日期：——