4-戊基苯甲酸-4-氰基-3,5-二氟苯酯 | 123843-69-6

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 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-戊基苯甲酸-4-氰基-3,5-二氟苯酯
• 中文别名: 4-戊基苯甲酸对4-氰基-3,5-二氟苯酯
• 英文名称: 4-cyano-3,5-difluorophenyl 4-pentylbenzoate
• 英文别名: (4-cyano-3,5-difluorophenyl) 4-pentylbenzoate
• CAS: 123843-69-6
• 化学式: C₁₉H₁₇F₂NO₂
• 分子量: 329.346
• InChiKey: ZSDURCFSQJERPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  46 °C
• 沸点：
  441.0±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)：
  5.7
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为产物：
  描述：

  3,5-二氟苯甲醚 在 ammonium hydroxide 、 正丁基锂 、 三氯化铝 、 氯化亚砜 、 草酰氯 、 4-吡咯烷基吡啶 、 N,N-二甲基甲酰胺 、 N,N'-二环己基碳二亚胺 、 sodium chloride 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 二乙二醇二甲醚 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 3.5h， 生成 4-戊基苯甲酸-4-氰基-3,5-二氟苯酯
  参考文献：
  名称：

  Gray, G. W.; Hird, M.; Lacey, D., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 172, p. 165 - 190

  摘要：

  DOI：

文献信息

• Ester derivate, liquid crystal composition and liquid crystal display element
  申请人：Chisso Corporation

  公开号：EP0738709A2

  公开（公告）日：1996-10-23

  A novel liquid crystalline compound having a large dielectric anisotropy value, a small change in the threshold voltage depending upon temperatures, and an improved solubility in other liquid crystal materials at low temperatures, and a liquid crystal composition containing the compound are provided,    which liquid crystalline compound is expressed by the formula (1) wherein R is H or an alkyl group of 1 to 10C; ℓ is an integer of 1 to 9; m, n and o are each independently 0 or 1; A1, A2 and A3 are each independently trans-1,4-cyclohexylene group, 1,4-pheylene group, one or more H atoms on the ring of which group may be replaced by F, or the like group; Z1, Z2 and Z3 are each independently -COO-, etc., but at least one member of them is -COO-; X is CF3,etc.; and Y1 and Y2 are each independently H or F.

  本发明提供了一种新型液晶化合物，该化合物具有较大的介电各向异性值，阈值电压随温度的变化较小，低温下在其他液晶材料中的溶解性也有所改善，还提供了一种含有该化合物的液晶组合物、 该液晶化合物由式（1）表示 其中 R 是 H 或 1 至 10C 的烷基；ℓ 是 1 至 9 的整数；m、n 和 o 独立地分别是 0 或 1；A1、A2 和 A3 独立地分别是反式-1,4-环己烯基团、1,4-己烯基团、其环上的一个或多个 H 原子可被 F 或类似基团取代；Z1、Z2 和 Z3 独立地分别是-COO-等、但其中至少有一个成员为-COO-；X 为 CF3 等；Y1 和 Y2 各自独立地为 H 或 F。
• Ester derivative, liquid crystal composition and liquid crystal display element
  申请人：Chisso Corporation

  公开号：EP1010687A2

  公开（公告）日：2000-06-21

  A novel liquid crystalline compound having a large dielectric anisotropy value, a small change in the threshold voltage depending upon temperatures, and an improved solubility in other liquid crystal materials at low temperatures, and a liquid crystal composition containing the compound are provided,    which liquid crystalline compound is expressed by the formula (1) wherein R represents an alkyl group of 1 to 10 carbon atoms; ℓ represents an integer of 1 to 9; m and n each independently represent 0 or 1; A1, A2 and A3 each independently represent trans-1,4-cyclohexylene group, 1,4-phenylene group or 1,3-dioxane-2,5-diyl group; Z1, Z2 and Z3 each independently represent -COO-, -(CH2)2- or a covalent bond at least one of which represents -COO-; X represents CF3, CF2H, CFH2, OCF3 or OCF2H; Y1 and Y2 each independently represent H or F with the proviso that at least one of Y1 and Y2 is F; provided that when m + n = 1, then Z3 represents -COO-.

  本发明提供了一种新型液晶化合物，该化合物具有较大的介电各向异性值，阈值电压随温度的变化较小，低温下在其他液晶材料中的溶解性也有所改善，还提供了一种含有该化合物的液晶组合物、 该液晶化合物由式（1）表示 其中 R 代表 1 至 10 个碳原子的烷基；ℓ 代表 1 至 9 的整数；m 和 n 分别独立地代表 0 或 1；A1、A2 和 A3 分别独立地代表反式-1,4-环己烯基、1,4-亚苯基或 1,3-二氧六环-2,5-二基；Z1、Z2 和 Z3 各自独立地代表-COO-、-(CH2)2- 或至少一个代表-COO-的共价键；X 代表 CF3、CF2H、CFH2、O 或 OCF2H；Y1 和 Y2 各自独立地代表 H 或 F，但 Y1 和 Y2 中至少有一个是 F；当 m + n = 1 时，则 Z3 代表-COO-。
• METHOD FOR OBTAINING A MATERIAL COMPRISING A LIQUID CRYSTAL MIX WITH A STABILIZED BLUE PHASE AND OPTICAL ARTICLE COMPRISING THIS MATERIAL
  申请人：ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE)

  公开号：EP3115436A1

  公开（公告）日：2017-01-11

  The invention relates to a method for obtaining a material (10) comprising mesogenic compounds (101) forming a liquid crystal mix with a stabilized blue phase (100), comprising the following steps: a) preparing a chemical composition comprising a mesogenic system and a chemical photo-initiator system, the mesogenic system including - said mesogenic compounds forming the liquid crystal mix, - a chiral dopant adapted to induce said blue phase, and - a monomer mix comprising monomers adapted to polymerize, and the chemical photo-initiator system being adapted to trigger the polymerization of said monomers when illuminated by a light beam of visible wavelength; b) getting said liquid crystal mix to form said blue phase; c) after getting said liquid crystal mix into said blue phase, illuminating the chemical composition obtained in step a) with a light beam of visible wavelength in order to trigger the polymerization of said monomers; d) obtaining said material comprising said liquid crystal mix in the blue phase stabilized by the polymerized monomers.

  本发明涉及一种获得材料（10）的方法，该材料由中间体化合物（101）组成，与稳定蓝相（100）形成液晶混合物，包括以下步骤： a) 制备一种化学组合物，该化学组合物包括介源体系和化学光引发剂体系，介源体系包括 - 形成液晶混合物的中生化合物、 - 用于诱导所述蓝相的手性掺杂剂，以及 - 由适于聚合的单体组成的单体混合物、 化学光引发剂系统可在可见光光束照射下引发所述单体聚合； b) 让所述液晶混合物形成所述蓝相； c) 在所述液晶混合物进入所述蓝相后，用可见光光束照射在步骤 a) 中获得的化学成分，以引发所述单体的聚合； d) 在蓝色相中获得由聚合单体稳定的液晶混合物组成的材料。
• Method for obtaining a material comprising a liquid crystal mix with a stabilized blue phase and optical article comprising this material
  申请人：Essilor International

  公开号：US10920145B2

  公开（公告）日：2021-02-16

  A method for obtaining a material containing mesogenic compounds forming a liquid crystal mix with a stabilized blue phase. The method includes the steps of a) inducing the liquid crystal mix, contained in a chemical composition, to form the blue phase, then b) illuminating the chemical composition with a light beam of visible wavelength in order to trigger the polymerization of monomers contained in the chemical composition, to obtain the material comprising the liquid crystal mix in the blue phase stabilized by the polymerized monomers. The chemical composition contains a mesogenic system and a chemical photo-initiator system adapted to trigger the polymerization of the monomers when illuminated by the light beam of visible wavelength, in which the mesogenic system includes the mesogenic compounds forming the liquid crystal mix, a chiral dopant adapted to induce the blue phase, and a monomer mix comprising the monomers adapted to polymerize.

  一种获得含有中生化合物的材料的方法，该材料可形成具有稳定蓝相的液晶混合物。该方法包括以下步骤：a) 诱导化学组合物中的液晶混合物形成蓝相，然后 b) 用可见光波长的光束照射化学组合物，以引发化学组合物中所含单体的聚合，从而获得由聚合单体稳定的蓝相液晶混合物组成的材料。该化学组合物包含一个中间体系统和一个化学光引发剂系统，当可见光光束照射时，化学光引发剂系统可引发单体聚合，其中中间体系统包括形成液晶混合物的中间体化合物、一个可引发蓝相的手性掺杂剂和一个包含可聚合单体的单体混合物。
• METHOD FOR MANUFACTURING LIQUID CRYSTAL DISPLAY DEVICE
  申请人：Kubota Daisuke

  公开号：US20130020023A1

  公开（公告）日：2013-01-24

  A liquid crystal display device which includes a liquid crystal composition exhibiting a blue phase and has high reliability is provided. In a manufacturing method of a liquid crystal display device which includes a liquid crystal composition exhibiting a blue phase, the liquid crystal composition including nematic liquid crystal, a chiral agent, a polymerizable monomer, and a photopolymerization initiator which absorbs light with a peak wavelength that is different from a peak wavelength of light absorbed by the nematic liquid crystal is used. The liquid crystal composition is capable of exhibiting a blue phase and is irradiated with light absorbed by the photopolymerization initiator so that the liquid crystal composition is polymerized.

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