benzoic acid 4-cyano-4-<(4-pentylphenoxy) carbonyl>phenyl ester | 50687-45-1

• 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: benzoic acid 4-cyano-4-<(4-pentylphenoxy) carbonyl>phenyl ester
• 英文别名: 4(4-pentylphenoxycarbonyl)phenyl 4-cyanobenzoate；4-pentylphenyl 4-(4-cyanobenzoyloxy)benzoate；4-n-Pentylphenyl-4-(4-cyanobenzoyloxy)benzoat；4-[(4-Pentylphenoxy)carbonyl]phenyl 4-cyanobenzoate；[4-(4-pentylphenoxy)carbonylphenyl] 4-cyanobenzoate
• CAS: 50687-45-1
• 化学式: C₂₆H₂₃NO₄
• 分子量: 413.473
• InChiKey: CUVROGUHPISTLE-UHFFFAOYSA-N

物化性质

• 熔点：
  137-139 °C
• 沸点：
  594.6±45.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-戊基苯酚 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑一水物 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 25.0~50.0 ℃ 、344.73 kPa 条件下， 反应 8.0h， 生成 benzoic acid 4-cyano-4-<(4-pentylphenoxy) carbonyl>phenyl ester
  参考文献：
  名称：

  Smectic–smectic phase transitions in binary liquid‐crystalline mixtures of DB₅–T₈

  摘要：

  We have used high-resolution x-ray diffraction and ac calorimetry to study the liquid–crystalline smectic-A-smectic-A phase transitions in binary mixtures of polar mesogenic compounds DB5 [benzoic acid, (4-cyano)-4-[(4-pentylphenoxy) carbonyl] phenyl ester] and T8 [(E)-benzoic acid, 4-octyloxy-4-[2-(4-cyanophenyl) ethenyl] phenyl ester]. A detailed synthesis for each of these compounds is presented. The smectic A1 phase in this system shows two collinear diffuse x-ray maxima at incommensurate wave vectors, indicating a tendency to form the predicted Ai1 phase with two strongly coupled density modulations having incommensurate wavelengths. The Ad peak position, while both temperature and concentration dependent, is remarkably constant along the N–Ad phase boundary. In the vicinity of 16 mol % T8, both the x-ray and heat-capacity results are reproducibly history dependent. The simultaneous observation of sharp A2 and Ad peaks most likely results from phase coexistence, but a condensed incommensurate Ai2 phase cannot be ruled out.

  DOI：

  10.1063/1.457798

文献信息

• Mesomorphic compound, liquid crystal composition and liquid crystal device
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0322703A2

  公开（公告）日：1989-07-05

  A liquid crystal composition, comprising a main chain-type mesomorphic polymer and a mesomorphic monomer and showing a smectic phase including a plurality of molecular layers, wherein a linkage of a covalent bond is present between adjacent molecular layers among the plurality molecular layers. Because of the presence of the covalent bond linkage between the molecular layers, the elastic energy of the liquid crystal per se relating to the elastic energy between the smectic liquid crystal molecular layers can be controlled to provide a uniform alignment. The mesomorphic polymer preferably has a structure represented by the following formula (1 ): wherein A denotes a terminal flexible chain group, M denotes a mesogen group, F denotes a spacer flexible chain group, x is 0 or 1, B denotes an ester bond group, ether bond group, thioester bond group, dimethylsiloxane bond group or thioether bond group, and y is 1 - 200.

  一种液晶组合物，由主链型介晶聚合物和介晶单体组成，并显示出包括多个分子层的晶相，其中多个分子层中的相邻分子层之间存在共价键连接。由于分子层之间存在共价键连接，因此可以控制液晶本身的弹性能与共晶液晶分子层之间的弹性能，以提供均匀的排列。介晶聚合物最好具有下式（1）所表示的结构： 其中 A 表示末端柔性链基团，M 表示中间基团，F 表示间隔柔性链基团，x 为 0 或 1，B 表示酯键基团、醚键基团、硫酯键基团、二甲基硅氧烷键基团或硫醚键基团，y 为 1 - 200。
• Polymeric liquid-crystalline compound, liquid-crystal composition containing it, and liquid-crystal device
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0435350A2

  公开（公告）日：1991-07-03

  Provided is a polymeric liquid-crystalline compound having in its repeating unit a moiety represented by the following formula (M) wherein A represents a bicyclic mesogen; B represents a flexible group represented by the formula wherein X represents a hydrogen atom or a methyl group and Y represents a hydrogen atom or a methyl group, provided that X is not the same as Y, k is 0 or 1, and m1 is 1 to 18, or wherein X represents a hydrogen atom or a methyl group and Y represents a hydrogen atom or a methyl group, provided that X is not the same as Y, k is 0 or 1, m2 is 2 to 10 and m3 is 2 to 5; and X1 and X2 each represent a group containing any one of an ester bond, an ether bond and a carbonate bond, and may be the same or different from each other.

  本发明提供了一种聚合物液晶化合物，其重复单元中含有下式（M）所代表的分子 其中 A 代表双环中间体；B 代表柔性基团，其代表式为 其中 X 代表氢原子或甲基，Y 代表氢原子或甲基，条件是 X 与 Y 不相同，k 为 0 或 1，m1 为 1 至 18，或 其中 X 代表氢原子或甲基，Y 代表氢原子或甲基，条件是 X 与 Y 不相同，k 为 0 或 1，m2 为 2 至 10，m3 为 2 至 5；以及 X1 和 X2 各代表一个含有酯键、醚键和碳酸酯键中任何一个键的基团，它们可以彼此相同或不同。
• Liquid crystal device, display apparatus using same and display method using same
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0843197A2

  公开（公告）日：1998-05-20

  A liquid crystal device comprises a pair of electrode plates, and a first display layer and a second display layer in contact with each other and disposed between the electrode plates, wherein said first display layer comprises a porous film having pores and a low-molecular weight mesomorphic compound filling said pores of said porous film having pores and a low-molecular weight compound filling said pores of said porous film, and said second display layer comprises the low-molecular weight mesomorphic compound. A further liquid crystal device comprises a pair of electrode plates, and a display layer disposed between the electrode plates; said display layer comprising a porous polymer film having been biaxially stretched at a stretch ratio of 1.4 - 30 for each stretching direction to provide open pores, and a low-molecular weight mesomorphic compound filling said open pores of said porous polymer film.

  一种液晶装置包括一对电极板、相互接触并置于电极板之间的第一显示层和第二显示层，其中所述第一显示层包括具有孔隙的多孔薄膜和填充所述多孔薄膜孔隙的低分子量介形化合物，所述第二显示层包括低分子量介形化合物。另一种液晶装置包括一对电极板和设置在电极板之间的显示层；所述显示层包括多孔聚合物薄膜，该薄膜已经过双轴拉伸，每个拉伸方向的拉伸比为 1.4 - 30，以提供开放的孔隙，以及填充所述多孔聚合物薄膜开放孔隙的低分子量介形化合物。
• Chiang, Long Y., Molecular Crystals and Liquid Crystals (1969-1991), 1987, vol. 146, p. 137 - 142
  作者：Chiang, Long Y.

  DOI：——

  日期：——
• CHIANG, LONG Y., MOL. CRYST. AND LIQUID CRYST., 146,(1987) # 137-142
  作者：CHIANG, LONG Y.

  DOI：——

  日期：——