4-Cyano-3-fluorophenyl 4-(propoxymethyl)benzoate | 100980-86-7

• 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-Cyano-3-fluorophenyl 4-(propoxymethyl)benzoate
• 英文别名: (4-cyano-3-fluorophenyl) 4-(propoxymethyl)benzoate
• CAS: 100980-86-7
• 化学式: C₁₈H₁₆FNO₃
• 分子量: 313.3
• InChiKey: UGPYJKPYNQWEGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氟-4-羟基苯腈 生成 4-Cyano-3-fluorophenyl 4-(propoxymethyl)benzoate
  参考文献：
  名称：

  SUGIMORI SIGEHRU;GOTO YASUYUKI;IOSOYAMA TOESIRO;NIGORIKAVA KADZUNORI

  摘要：

  DOI：

文献信息

• Benzoate derivatives having positive dielectric anisotropy and liquid crystal compositions containing them
  申请人：Chisso Corporation

  公开号：EP0155792A1

  公开（公告）日：1985-09-25

  Novel organic compounds with a positive dielectric anisotropy usable as components of liquid crystal compositions for liquid-crystalline display devices operated under a low driving voltage are benzoic acid ester derivatives expressed by the formula. wherein R represents an alkyl group of 1 to 10 carbons and X represents

  可用作在低驱动电压下运行的液晶显示设备的液晶组合物成分的具有正介电各向异性的新型有机化合物是由式表示的苯甲酸酯衍生物。 其中 R 代表 1 至 10 个碳原子的烷基，X 代表
• Liquid crystalline compound, liquid crystal composition and liquid crystal display element
  申请人：Chisso Corporation

  公开号：EP0679707A1

  公开（公告）日：1995-11-02

  A liquid crystalline compound having a high elastic constant ratio (K33/K11) and an immproved solubility thereof in other liquid crystal materials, have the formula:- (1) : wherein Q represents -CF₃, -CF₂H or -CFH₂; A₁, A₂ and A₃ each independently represent a trans-1,4-cyclohexylene group, a 1,4-phenylene group wherein one or more hydrogen atoms on the ring may be replaced by F, Cℓ or CN, a pyridine-2,5-diyl group or a 1,3-pyrimidine-2,5-diyl group; ring B represents a 1,4-phenylene group or a trans-1,4-cyclohexylene group which can be replaced at its lateral position by groups L, and L₂ noted below; Z₁, Z₂ and Z₃ each independently represent a covalent bond or a group -CH=CH-, -C=C-, -OCO-, -COO-, -CH₂O-, -OCH₂-, -(CH₂)₂- or -(CH₂)₄-; ℓ and m each independently represent 0 or an integer of 1 to 5; o and p each independently represent 0 or 1; L1 and L2 each independently represent H, F or Cℓ; and L3 represents a hydrogen or halogen atom, -CN, -CF3, -CF2H, -CFH₂, -OCF3, -OCF₂H, a C₁-C₁₀ alkyl group or a C₂-C₁₀ alkenyl group [wherein optional non-adjacent methylene groups (-CH₂-) in the alkyl group or the alkenyl group may each independently be replaced by -O-, -S-, -CO-, -OCO- or -COO-].

  一种具有高弹性常数比（K33/K11）并能提高在其他液晶材料中溶解度的液晶化合物，其分子式为：(1) ： 其中 Q 代表 -CF₃、-CF₂H 或 -CFH₂；A₁、A₂ 和 A₃ 各自独立地代表反式-1,4-环己烯基、环上的一个或多个氢原子可被 F、Cℓ 或 CN 取代的 1,4-亚苯基、吡啶-2,5-二基或 1,3-嘧啶-2,5-二基；环 B 代表 1,4-亚苯基基团或反式-1,4-环己烯基团，其侧边位置可被下述基团 L 和 L₂ 取代；Z₁、Z₂ 和 Z₃ 各自独立地代表共价键或基团 -CH＝CH-、-C＝C-、-OCO-、-COO-、-CH₂O-、-OCH₂-、-(CH₂)₂- 或 -(CH₂)₄-；ℓ 和 m 各自独立地代表 0 或 1 至 5 的整数；o 和 p 各自独立地代表 0 或 1；L1 和 L2 各自独立地代表 H、F 或 Cℓ；L3 代表氢原子或卤素原子、-CN、-CF3、-CF2H、-CFH₂、-OCF3、-OCF₂H、C₁-C₁₀ 烷基或 C₂-C₁₀ 烯基[其中烷基或烯基中任选的非相邻亚甲基（-CH₂-）可各自独立地被-O-、-S-、-CO-、-OCO-或-COO-取代]。
• A liquid crystal composition and a liquid crystal display element using the same
  申请人：Chisso Corporation

  公开号：EP0700982A1

  公开（公告）日：1996-03-13

  A liquid crystal composition used for a display element using TN (twisted nematic) mode or STN (super-twisted nematic) mode, having reduced the threshold voltage and its temperature dependency is provided,    which composition comprises in one embodiment compounds of the following formulas (1) and (2): wherein R¹ and R² is an alkyl group of 1 to 10C; A¹ and A² each independently are 1,4-cyclohexylene or 1,4-penylene; n is 0 or 1; and X is H or F, and when the liquid crystal composition of the present invention is used, it is possible to realize a liquid crystal display element superior in low voltage drive, low power consumption and contrast.

  本发明提供了一种用于采用 TN（扭曲向列）模式或 STN（超扭曲向列）模式的显示元件的液晶组合物，该组合物具有较低的阈值电压及其温度依赖性、 该组合物在一个实施例中包括以下式子（1）和（2）的化合物： 其中 R¹ 和 R² 是 1 至 10C 的烷基；A¹ 和 A² 各自独立地是 1，4-环己烯或 1，4-烯；n 是 0 或 1；X 是 H 或 F，以及 当使用本发明的液晶组合物时，有可能实现一种在低电压驱动、低功耗和对比度方面更优越的液晶显示元件。
• Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device
  申请人：Chisso Corporation

  公开号：EP0733610A1

  公开（公告）日：1996-09-25

  The present invention describes a hexynediene derivative expressed by the following general formula I and liquid crystal compositions containing the derivative : wherein R1 and R2 independently represent an alkyl group or alkoxy group each having 1 to 10 carbon atoms, ring A and ring B independently represent 1,4-cyclohexylene or 1,4-phenylene. A liquid crystal display device containing said composition is also described.

  本发明描述了一种由以下通式 I 表示的己二烯衍生物和含有该衍生物的液晶组合物： 其中，R1 和 R2 分别代表各自具有 1 至 10 个碳原子的烷基或烷氧基，环 A 和环 B 分别代表 1,4-环己烯或 1,4-亚苯基。 还描述了一种含有上述组合物的液晶显示装置。
• Liquid crystalline compound, liquid crystal composition containing the same, and display device
  申请人：Chisso Corporation

  公开号：EP0733692A1

  公开（公告）日：1996-09-25

  Liquid crystalline compounds are disclosed which are expressed by the following general formula (1) wherein R1 represents a branched alkyl group having 3 to 10 carbon atoms, ring A represents 1,4-phenylene group or 1,4-cyclohexylene group, Z1 and Z2 independently represent a single bond or 1,2-ethylene group, respectively, X1, X2, X3, and X4 independently represent fluorine atom or hydrogen atom, respectively, and Y1 represents oxygen atom or a single bond. The compounds are excellent in compatibility with other liquid crystalline compounds, and have a large positive value of dielectric anisotropy, extremely low viscosity, extremely high specific resistance (high voltage holdidng ratio), and excellent UV stability. A liquid crystal display element is also disclosed.

  本发明公开了由以下通式（1）表示的液晶化合物 其中 R1 代表具有 3 至 10 个碳原子的支链烷基，环 A 代表 1，4-亚苯基或 1，4-环己烯基，Z1 和 Z2 分别独立地代表单键或 1，2-乙烯基，X1、X2、X3 和 X4 分别独立地代表氟原子或氢原子，Y1 代表氧原子或单键。这些化合物与其他液晶化合物的兼容性极佳，具有较大的介电各向异性正值、极低的粘度、极高的比电阻（高电压保持比）和极好的紫外线稳定性。此外，还公开了一种液晶显示元件。