4-Acetylphenyl 4-(heptyloxy)benzoate | 55097-85-3

• 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-Acetylphenyl 4-(heptyloxy)benzoate
• 英文别名: (4-acetylphenyl) 4-heptoxybenzoate
• CAS: 55097-85-3
• 化学式: C₂₂H₂₆O₄
• mdl: MFCD00368834
• 分子量: 354.446
• InChiKey: RQXCDZBYCAVLFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  26
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  4-Acetylphenyl 4-(heptyloxy)benzoate 在 polyethylene glycol 、 硼酸三甲酯 、 溴 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 3.0h， 生成 [4-(2-butanoyloxyacetyl)phenyl] 4-heptoxybenzoate
  参考文献：
  名称：

  Torgova, S. I.; Karamysheva, L. A.; Agafonova, I. F., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 7, p. 1162 - 1168

  摘要：

  DOI：
• 作为产物：
  描述：

  对羟基苯甲酸 在 吡啶 、 氯化亚砜 、 potassium hydroxide 作用下， 生成 4-Acetylphenyl 4-(heptyloxy)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

文献信息

• Recherches sur les substances mesogenes—VIII
  作者：Jacques Malthête、Josette Canceill、Jacqueline Gabard、Jean Jaques

  DOI：10.1016/s0040-4020(01)92351-8

  日期：1981.1

  The synthesis and the mesomorphic properties of various series of isometric mesogenic compounds are described. It is confirmed that isometric mesogenic molecules may be nematogenic and/or smectogenic according to the position of the polar rigid core.

  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。
• 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：——
• Torgova, S. I.; Karamysheva, L. A.; Agafonova, I. F., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 7, p. 1162 - 1168
  作者：Torgova, S. I.、Karamysheva, L. A.、Agafonova, I. F.

  DOI：——

  日期：——
• New Liquid Crystalline Compounds Involving Ester-Chalcone Linkages Having 1,3,5-Trisubstituted Pyrazole as a Terminal Group
  作者：B. T. Thaker、D. M. Patel、J. B. Kanojiya

  DOI：10.1080/15421400903065549

  日期：2009.9.3

  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.