[4-[3-[4-(4-Dodecoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenyl] 4-hexylbenzoate | 1613753-92-6

• 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-[4-(4-Dodecoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenyl] 4-hexylbenzoate
• 英文别名: [4-[3-[4-(4-dodecoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenyl] 4-hexylbenzoate
• CAS: 1613753-92-6
• 化学式: C₄₆H₅₄N₂O₆
• 分子量: 730.945
• InChiKey: VWFYSTYUPZQRDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  54
• 可旋转键数：
  25
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-benzyloxy-N'-hydroxybenzimidamide 在 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢气 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 24.0h， 生成 [4-[3-[4-(4-Dodecoxybenzoyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenyl] 4-hexylbenzoate
  参考文献：
  名称：

  1,2,4-Oxadiazole-Based Bent-Core Liquid Crystals with Cybotactic Nematic Phases

  摘要：

  AbstractSeveral series of bent‐core mesogens derived from 3,5‐diphenyl‐1,2,4‐oxadiazole with or without lateral groups and with different length terminal chains at both ends, and polycatenar molecules with three to six alkoxy chains are synthesized and their mesomorphic behaviour is investigated by polarizing microscopy, differential scanning calorimetry, X‐ray diffraction (XRD), dielectric, electro‐optical and second‐harmonic generation (SHG) experiments. Most compounds exhibit broad regions of skewed cybotactic nematic (NcybC) and tilted smectic (SmC) phases with a strong tilt of the aromatic cores (up to 63°), but non‐tilted SmA and NcybA phases are also observed for a compound that has only one terminal chain. The XRD patterns of the nematic phases of most of the compounds investigated indicate a 2D periodicity with short correlation length in the magnetically aligned samples. This is of importance for the general interpretation of the small‐angle XRD splitting patterns typically observed for aligned samples of bent‐core nematic phases. In most nematic phases one current peak is observed in the half period of an applied electric field, though no coherent signal is found in the SHG experiments. Based on additional electro‐optical and dielectric results, the nematic phases are considered to be cybotactic nematic phases with local polar order, and show a dielectric reorientation of the polar domains. Only chiral nematic phases (NcybC*), but not blue phases, are obtained for compounds with one or two chiral (3S)‐3,7‐dimethyloctyloxy tail(s).

  DOI：

  10.1002/cphc.201301070

文献信息

• 1,2,4-Oxadiazole-Based Bent-Core Liquid Crystals with Cybotactic Nematic Phases
  作者：Govindaswamy Shanker、Marko Prehm、Mamatha Nagaraj、Jagdish K. Vij、Marvin Weyland、Alexey Eremin、Carsten Tschierske

  DOI：10.1002/cphc.201301070

  日期：2014.5.19

  AbstractSeveral series of bent‐core mesogens derived from 3,5‐diphenyl‐1,2,4‐oxadiazole with or without lateral groups and with different length terminal chains at both ends, and polycatenar molecules with three to six alkoxy chains are synthesized and their mesomorphic behaviour is investigated by polarizing microscopy, differential scanning calorimetry, X‐ray diffraction (XRD), dielectric, electro‐optical and second‐harmonic generation (SHG) experiments. Most compounds exhibit broad regions of skewed cybotactic nematic (NcybC) and tilted smectic (SmC) phases with a strong tilt of the aromatic cores (up to 63°), but non‐tilted SmA and NcybA phases are also observed for a compound that has only one terminal chain. The XRD patterns of the nematic phases of most of the compounds investigated indicate a 2D periodicity with short correlation length in the magnetically aligned samples. This is of importance for the general interpretation of the small‐angle XRD splitting patterns typically observed for aligned samples of bent‐core nematic phases. In most nematic phases one current peak is observed in the half period of an applied electric field, though no coherent signal is found in the SHG experiments. Based on additional electro‐optical and dielectric results, the nematic phases are considered to be cybotactic nematic phases with local polar order, and show a dielectric reorientation of the polar domains. Only chiral nematic phases (NcybC*), but not blue phases, are obtained for compounds with one or two chiral (3S)‐3,7‐dimethyloctyloxy tail(s).