(4-戊基苯基)4-苯基甲氧基苯甲酸酯 | 111973-82-1

• 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
• 中文名称: (4-戊基苯基)4-苯基甲氧基苯甲酸酯
• 英文名称: benzoic acid, 4-(phenylmethoxy)-4-pentylphenyl ester
• 英文别名: 4-pentylphenyl 4-benzyloxybenzoate；4-Pentylphenyl 4-(benzyloxy)benzoate；(4-pentylphenyl) 4-phenylmethoxybenzoate
• CAS: 111973-82-1
• 化学式: C₂₅H₂₆O₃
• 分子量: 374.48
• InChiKey: PJFLIRSRNIGVFL-UHFFFAOYSA-N

物化性质

• 熔点：
  124 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
• 沸点：
  523.0±43.0 °C(Predicted)
• 密度：
  1.101±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-戊基苯基)4-苯基甲氧基苯甲酸酯 在 palladium on activated charcoal 氢气 作用下， 以 溶剂黄146 为溶剂， 以94%的产率得到benzoic acid 4-hydroxy-4-pentylphenyl 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
• 作为产物：
  描述：

  间(苯基甲氧基)苯甲酸苯基甲基酯 在 氢氧化钾 、 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 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (4-戊基苯基)4-苯基甲氧基苯甲酸酯
  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

• LIQUID CRYSTAL ALIGNMENT FILM COMPOSITION, LIQUID CRYSTAL DEVICE AND DISPLAY APPARATUS
  申请人：HARADA Shigeyuki

  公开号：US20080231785A1

  公开（公告）日：2008-09-25

  To provide a liquid crystal alignment film composition including at least one type of triphenylene compound (I) represented by the following general formula (1): wherein L represents —O— or —S—, R 1 , R 2 , R 3 , R 4 and R 5 may be identical or different and represent a hydrocarbon group having four or more carbon atoms, R 6 represents a divalent hydrocarbon group having four or more carbon atoms, R 7 represents —SiR 8 R 9 R 10 or —P(═O)(OH) 2 , and R 8 , R 9 and R 10 may be identical or different and represent —Cl, —OH, —OCH 3 or —OC 2 H 5 ).

  提供一种液晶取向膜组合物，其中至少包括一种由以下通式（1）表示的三苯基化合物（I）：其中L代表—O—或—S—，R1、R2、R3、R4和R5可以相同也可以不同，代表具有四个或更多碳原子的碳氢基团，R6代表具有四个或更多碳原子的二价碳氢基团，R7代表—SiR8R9R10或—P（═O）（OH）2，R8、R9和R10可以相同也可以不同，代表—Cl、—OH、—OCH3或—OC2H5。
• LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY APPARATUS
  申请人：HARADA Shigeyuki

  公开号：US20080305280A1

  公开（公告）日：2008-12-11

  A disclosed liquid crystal display device includes a liquid crystal composition contained in a cell having a liquid crystal alignment film. The liquid crystal alignment film has a lamellar structure and includes at least one type of a triphenylene compound (I) represented by general formula (1): In general formula (1), L represents —O— or —S—; R 1 , R 2 , R 3 , R 4 , and R 5 represent the same or different hydrocarbon radicals with 4 or more carbon atoms; R 6 represents a divalent hydrocarbon radical with 4 or more carbon atoms; and R 7 represents —SiR 8 R 9 R 10 or —P(═O)(OH) 2 where R 8 , R 9 , and R 10 each individually represents —Cl, —OH, —OCH 3 , or —OC 2 H 5 .

  揭示的液晶显示器件包括液晶组分，所述液晶组分包含在具有液晶定向膜的单元中。所述液晶定向膜具有层状结构，并包括至少一种由通式（1）表示的三苯基化合物（I）： 在通式（1）中，L代表—O—或—S—；R1、R2、R3、R4和R5表示具有4个或更多碳原子的相同或不同的碳氢基团；R6表示具有4个或更多碳原子的二价碳氢基团；以及R7表示—SiR8R9R10或—P（═O）（OH）2，其中R8、R9和R10分别表示—Cl、—OH、—OCH3或—OC2H5。
• Liquid crystal display device and display apparatus
  申请人：Ricoh Company, Ltd.

  公开号：US07758932B2

  公开（公告）日：2010-07-20

  A disclosed liquid crystal display device includes a liquid crystal composition contained in a cell having a liquid crystal alignment film. The liquid crystal alignment film has a lamellar structure and includes at least one type of a triphenylene compound (I) represented by general formula (1): In general formula (1), L represents —O— or —S—; R1, R2, R3, R4, and R5 represent the same or different hydrocarbon radicals with 4 or more carbon atoms; R6 represents a divalent hydrocarbon radical with 4 or more carbon atoms; and R7 represents —SiR8R9R10 or —P(═O)(OH)2 where R8, R9, and R10 each individually represents —Cl, —OH, —OCH3, or —OC2H5.

  揭示的液晶显示器装置包括液晶组分，其包含在具有液晶取向膜的单元中。液晶取向膜具有层状结构，并包括至少一种由通式（1）表示的三苯基化合物（I）： 在通式（1）中，L代表—O—或—S—；R1、R2、R3、R4和R5代表具有4个或更多碳原子的相同或不同的碳氢基团；R6代表具有4个或更多碳原子的二价碳氢基团；R7代表—SiR8R9R10或—P（═O）（OH）2，其中R8、R9和R10各自代表—Cl、—OH、—OCH3或—OC2H5。
• Liquid crystal alignment film composition, liquid crystal device and display apparatus
  申请人：Ricoh Company, Ltd.

  公开号：US07658979B2

  公开（公告）日：2010-02-09

  To provide a liquid crystal alignment film composition including at least one type of triphenylene compound (I) represented by the following general formula (1): wherein L represents —O— or —S—, R1, R2, R3, R4 and R5 may be identical or different and represent a hydrocarbon group having four or more carbon atoms, R6 represents a divalent hydrocarbon group having four or more carbon atoms, R7 represents —SiR8R9R10 or —P(═O)(OH)2, and R8, R9 and R10 may be identical or different and represent —Cl, —OH, —OCH3 or —OC2H5).

  提供一种液晶配向膜组合物，其中包括至少一种三苯基烯化合物（I），其由以下通式（1）表示：其中L代表—O—或—S—，R1、R2、R3、R4和R5可以相同或不同，并表示具有四个或更多碳原子的碳氢基团，R6表示具有四个或更多碳原子的二价碳氢基团，R7表示—SiR8R9R10或—P（═O）（OH）2，而R8、R9和R10可以相同或不同，并表示—Cl、—OH、—OCH3或—OC2H5。
• Chiang, Long Y., Molecular Crystals and Liquid Crystals (1969-1991), 1987, vol. 146, p. 137 - 142
  作者：Chiang, Long Y.

  DOI：——

  日期：——