4-Pentyl-cyclohexanecarboxylic acid 4-propoxy-phenyl ester | 67679-64-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 4-Pentyl-cyclohexanecarboxylic acid 4-propoxy-phenyl ester
• 英文别名: Cyclohexanecarboxylic acid, 4-pentyl-, 4-propoxyphenyl ester, trans-；(4-propoxyphenyl) 4-pentylcyclohexane-1-carboxylate
• CAS: 67679-64-5
• 化学式: C₂₁H₃₂O₃
• 分子量: 332.483
• InChiKey: ZAUPPIHFDVKVJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• 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]。
• 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。
• LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME
  申请人：CHISSO CORPORATION

  公开号：EP0742275A1

  公开（公告）日：1996-11-13

  A novel liquid crystal compound represented by general formula (1), and a liquid crystal composition containing the same and having a high clearing point and a viscosity reducing effect suitable for use as a liquid crystal display element. In formula (1) R1 represents C1-C12 alkyl wherein one CH2 group may be replaced by oxygen or -CH=CH-; X represents hydrogen or fluorine; Y represents hydrogen or C1-C5 alkoxy; 1 and m represent each independently 0 or 1; and n and p represent each independently a integer of 0 to 10; provided n is at least 1 when p is 0, and X represents fluorine and p represents 0 when Y represents alkoxy.

  一种由通式（1）表示的新型液晶化合物，以及一种含有该化合物并具有适合用作液晶显示元件的高凝点和降粘效果的液晶组合物。在式(1)中，R1代表C1-C12烷基，其中一个CH2基团可被氧或-CH=CH-取代；X代表氢或氟；Y代表氢或C1-C5烷氧基；1和m各自独立地代表0或1；n和p各自独立地代表0至10的整数；条件是当p为0时，n至少为1，当Y代表烷氧基时，X代表氟，p代表0。
• NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION
  申请人：CHISSO CORPORATION

  公开号：EP0805134A1

  公开（公告）日：1997-11-05

  The present invention is to provide a liquid crystalline compound which has a large ratio of elastic constants and low viscosity, is excellent in miscibility, and is even chemically stable, and to provide a liquid crystal composition containing the liquid crystalline compound. The present invention is concerned with a liquid crystalline compound expressed by general formula (1) wherein R1 represents cyano group, halogen atom, or a straight or branched alkyl group or halogenated alkyl group having 1 to 20 carbon atoms, one or not-adjacent two CH2 groups in the alkyl group or halogenated alkyl group may be replaced by oxygen atom or -CH=CH- group; R2 and R2' represent hydrogen atom, halogen atom, or an alkyl group having 1 to 9 carbon atoms; X1, X2, and X3 independently represent -CH2CH2-, -CO-O-, -O-CO-, -CH=CH-, -C≡C-, -(CH2)4-, -CF2O-, -OCF2-, -CH2O-, -OCH2-, or a covalent bond; rings A, B, C, and D independently represent 1,4-phenylene ring, trans-1,4-cyclohexylene ring, bicyclo[1,1,0]butane ring, bicyclo[1,1,1]pentane ring, bicyclo[3,2,2]octane ring, cyclobutane ring, or spiro[3,3]heptane ring, respectively, hydrogen atom in these rings may be replaced by halogen atom and carbon atom in these rings may be replaced by nitrogen atom or oxygen atom; ℓ, m, and o are independently 0 or 1, n is an integer of 0 to 3, and p is an integer of 1 to 5. Liquid crystal composition having excellent physical properties, that is, steep threshold characteristics and high response speed can be obtained by providing a novel liquid crystalline compound having a large ratio of elastic constants and low viscosity, or by including the liquid crystalline compound in a liquid crystal composition.

  本发明旨在提供一种弹性常数比大、粘度低、混溶性好、甚至化学性质稳定的液晶化合物，并提供一种含有该液晶化合物的液晶组合物。 本发明涉及一种由通式（1）表示的液晶化合物 其中 R1 代表氰基、卤素原子或具有 1 至 20 个碳原子的直链或支链烷基或卤代烷基，烷基或卤代烷基中的一个或不相邻的两个 CH2 基团可由氧原子或 -CH=CH- 基团取代；R2 和 R2'代表氢原子、卤素原子或具有 1 至 9 个碳原子的烷基； X1、X2 和 X3 独立地代表-CH2CH2-、-CO-O-、-O-CO-、-CH=CH-、-C≡C-、-(CH2)4-、-CF2O-、-OCF2-、-CH2O-、-OCH2- 或共价键；环 A、B、C 和 D 分别独立地代表 1,4-苯环、反式-1,4-环己烯环、双环[1,1,0]丁烷环、双环[1,1,1]戊烷环、双环[3,2,2]辛烷环、环丁烷环或螺[3,3]庚烷环，这些环中的氢原子可被卤素原子取代，这些环中的碳原子可被氮原子或氧原子取代；ℓ、m 和 o 独立地为 0 或 1，n 为 0 至 3 的整数，p 为 1 至 5 的整数。 通过提供具有大弹性常数比和低粘度的新型液晶化合物，或在液晶组合物中加入该液晶化合物，可获得具有优异物理性质（即陡峭阈值特性和高响应速度）的液晶组合物。
• Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition
  申请人：Chisso Corporation

  公开号：EP0640578B2

  公开（公告）日：2001-06-27