4-((3-hydroxyphenoxy)carbonyl)phenyl 4-(heptyloxy)benzoate | 1331828-93-3

• 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-((3-hydroxyphenoxy)carbonyl)phenyl 4-(heptyloxy)benzoate
• 英文别名: 3-hydroxyphenyl 4-(4-n-heptyloxybenzoyloxy)benzoate
• CAS: 1331828-93-3
• 化学式: C₂₇H₂₈O₆
• 分子量: 448.516
• InChiKey: XAQDIXWZTRPOCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  33.0
• 可旋转键数：
  11.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  82.06
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4-((3-hydroxyphenoxy)carbonyl)phenyl 4-(heptyloxy)benzoate 、 对醛基苯甲酸 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 16.17h， 生成 3-(4-(4-(heptyloxy)benzoyloxy)benzoyloxy)phenyl-4-((4-(heptyloxy)phenylimino)methyl)benzoate
  参考文献：
  名称：

  Electro-optical switching studies on 1,3-phenylene based banana shaped liquid crystals

  摘要：

  This work deals with the study of the thermotropic liquid crystalline properties of new asymmetric bent core liquid crystals. The thermotropic properties was analyzed by polarized optical microscopy, differential scanning calorimetric analysis and variable temperature X-ray diffraction measurements. Effect of equal terminal chain with asymmetric bent core system on mesomorphic behavior was examined. The shorter methyl chain compound 10a of exhibits B-1 mesophase and higher homologs (10b and 10c) shows antiferroelectric B-2 mesophases, which was studied by electro-optical measurements. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.06.027
• 作为产物：
  描述：

  4-((3-(benzyloxy)phenoxy)carbonyl)phenyl 4-(heptyloxy)benzoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 24.0h， 以88%的产率得到4-((3-hydroxyphenoxy)carbonyl)phenyl 4-(heptyloxy)benzoate
  参考文献：
  名称：

  Electro-optical switching studies on 1,3-phenylene based banana shaped liquid crystals

  摘要：

  This work deals with the study of the thermotropic liquid crystalline properties of new asymmetric bent core liquid crystals. The thermotropic properties was analyzed by polarized optical microscopy, differential scanning calorimetric analysis and variable temperature X-ray diffraction measurements. Effect of equal terminal chain with asymmetric bent core system on mesomorphic behavior was examined. The shorter methyl chain compound 10a of exhibits B-1 mesophase and higher homologs (10b and 10c) shows antiferroelectric B-2 mesophases, which was studied by electro-optical measurements. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.06.027

文献信息

• Hierarchical Superstructures with Control of Helicity from the Self-Assembly of Chiral Bent-Core Molecules
  作者：Shih-Chieh Lin、Rong-Ming Ho、Chin-Yen Chang、Chain-Shu Hsu

  DOI：10.1002/chem.201200057

  日期：2012.7.16

  oxy}benzoyl)oxy]‐phenyl‐4‐[(4‐[(1S)‐1‐methylheptyl]oxy}benzoyl)oxy] benzoate (BC7S), were synthesized to demonstrate control of the helicity of their self‐assembled hierarchical superstructures. Mirror‐imaged CD spectra showed a split‐type Cotton effect after the formation of self‐assembled aggregates of BC7R and BC7S, thereby suggesting the formation of intermolecular exciton couplets with opposite

  在此，两个不对称的手性弯曲核分子3-[[（4-[[4-（庚氧基）苯甲酰基]氧基}苯甲酰基）氧基]-苯基-4-[[4-[[[（（1 R）-1-甲基庚基] ] oxy}苯甲酰]氧基]苯甲酸酯（BC7R）和3-[（4-[[4-（庚氧基）苯甲酰基] oxy}苯甲酰]氧基]苯甲酸] -4-[[4-[[（1 S）-1-甲基庚基]氧基}苯甲酰基）氧基]苯甲酸酯（BC7S）被合成以证明控制其自组装的分级超结构的螺旋度。镜像CD光谱显示BC7R和BC7S自组装聚集体形成后的分裂型棉花效应，从而表明形成了具有相反光学活性的分子间激子对。在聚集体中发现了具有优先螺旋性的扭曲带和螺旋带，这与分子间激子对的扭曲特性相对应。螺旋带的形成归因于扭曲带的合并，通过增加宽度来改善形态稳定性。因此，