反式-4-(3,4,5-三氟苯基)-反式-4’-丙基联二环己烷 | 131819-23-3

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 反式-4-(3,4,5-三氟苯基)-反式-4’-丙基联二环己烷
• 中文别名: 反,反-4'-丙基-4-(3,4,5-三氟苯基)双环己烷；反式-4-(3,4,5-三氟苯基)-反式-4'-丙基联二环己烷
• 英文名称: trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
• 英文别名: 1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
• CAS: 131819-23-3
• 化学式: C₂₁H₂₉F₃
• 分子量: 338.4
• InChiKey: FEWMLRARKGRCCE-UHFFFAOYSA-N

物化性质

• 熔点：
  63-64℃
• 沸点：
  381.2±42.0 °C(Predicted)
• 密度：
  1.066
• LogP：
  5.7 at 25℃

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• LIQUID CRYSTAL COMPOUND CONTAINING A DIFLUORMETHOXY BRIDGE AND APPLICATION THEREOF
  申请人：BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD

  公开号：US20180148398A1

  公开（公告）日：2018-05-31

  The present invention relates to a liquid crystal compound having a structure as shown by formula I, wherein R is selected from H and alkyl or alkoxy containing 1-12 carbon atoms in which one or more H are unsubstituted or substituted with halogens; A 1 , A 2 and A 3 are each independently selected from: a single bond, 1,4-cyclohexylene, 1,4-phenylene, wherein hydrogen in 1,4-phenylene may be each independently substituted with one or more halogens; and Z 1 and Z 2 are each independently selected from a single bond or —(CH 2 ) 2 —. The compound of the invention has the characteristics of low rotational viscosity, large dielectric anisotropy, good mutual solubility and stability. The driving voltage of a device can be remarkably reduced after the compound is added to a composition. Thus, the compound of the invention has prosperous applications in LCD industry.

  本发明涉及一种具有如公式I所示结构的液晶化合物，其中R从H和烷基或含有1-12个碳原子的烷氧基中选择，其中一个或多个H未取代或用卤素取代；A1、A2和A3分别独立选择自：单键，1,4-环己烯基，1,4-苯基，其中1,4-苯基中的氢原子可以各自独立地被一个或多个卤素取代；Z1和Z2各自独立选择自单键或—(CH2)2—。该发明的化合物具有低转动黏度、大介电各向异性、良好的互溶性和稳定性的特点。在将该化合物添加到组合物后，设备的驱动电压可以显著降低。因此，该发明的化合物在液晶显示行业有着广泛的应用前景。
• CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF
  申请人：SHI JIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD.

  公开号：US20150252261A1

  公开（公告）日：2015-09-10

  A cycloheptane derivative as represented by formula (I), and preparation method and use thereof; the compound has photostability and thermostability, wide nematic phase and liquid crystalline state temperature range, and good low-temperature intersolubility, and particularly has low rotary viscosity γ 1 and good dielectric anisotropy (Δ∈>0).

  一种由式（I）表示的环庚烷衍生物，其制备方法和用途；该化合物具有光稳定性和热稳定性，宽的向列相和液晶状态温度范围，良好的低温相容性，特别是具有低旋转粘度γ1和良好的介电各向异性（Δ∈>0）。
• Liquid Crystal Compound Containing Cyclobutyl Group and Difluoromethyleneoxy Linking Group, and Preparation Method and Use Thereof
  申请人：ShijiaZhuang Chengzhi Yonghua Display Materials Co., Ltd.

  公开号：US20150284632A1

  公开（公告）日：2015-10-08

  A liquid crystal compound containing cyclobutyl and a linking group difluoromethyleneoxy, and a preparation method and use thereof are disclosed. The compound is as shown in Formula I. The liquid crystal compound containing cyclobutyl as a terminal group and difluoromethyleneoxy (—CF 2 O—) as a linking group in the molecular structure of Formula I according to the present invention, has not only a high dielectric anisotropy, but also importantly an extremely fast response speed and a high clearing point, which are of great significance for the formulation of a liquid crystal mixture.

  本发明公开了一种含有环丁基和连接基二氟甲氧基的液晶化合物，以及其制备方法和用途。该化合物如公式I所示。根据本发明，液晶化合物在分子结构中含有环丁基作为末端基和二氟甲氧基（-CF2O-）作为连接基，不仅具有高介电各向异性，而且非常快速的响应速度和高清晰点，这对于液晶混合物的配方具有重要意义。
• LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：Shimada Teru

  公开号：US20100073621A1

  公开（公告）日：2010-03-25

  The invention provides a liquid crystal compound which has stability to heat, light and so forth, shows liquid crystal phases in a wide temperature range, and has a small viscosity, an appropriate optical anisotropy, a large dielectric anisotropy, and an excellent compatibility with other liquid crystal compounds. The invention provides a liquid crystal composition which has an appropriate optical anisotropy, an appropriate dielectric anisotropy, a low threshold voltage, and a high maximum temperature and a low minimum temperature of a nematic phase. The invention provides a liquid crystal display device which has a short response time, a small power consumption, a small driving voltage, and a large contrast, and can be used in a wide temperature range. The liquid crystal compound is a halogeno-benzene derivative having a trifluoropropenyl group or trifluoropropynyl group at a side chain, such as, for example, trans-4′-[3,5-difluoro-4-(3,3,3-trifluoropropenyl)phenyl]-trans-4-propylbicyclohexyl. The liquid crystal composition contains a compound which is this derivative. The liquid crystal display device uses this liquid crystal composition.

  本发明提供了一种液晶化合物，具有耐热、耐光等稳定性，在广泛的温度范围内显示液晶相，并具有小粘度、适当的光学各向异性、大电介质各向异性以及与其他液晶化合物的良好相容性。本发明还提供了一种液晶组合物，具有适当的光学各向异性、适当的电介质各向异性、低阈值电压以及向列相的高最高温度和低最低温度。本发明还提供了一种液晶显示装置，具有短响应时间、小功耗、小驱动电压和大对比度，可在广泛的温度范围内使用。液晶化合物是一种具有三氟丙烯基或三氟丙炔基侧链的卤代苯衍生物，例如，trans-4'-[3,5-二氟-4-(3,3,3-三氟丙烯基)苯基]-trans-4-丙基双环己烷。液晶组合物包含这种衍生物的化合物。液晶显示装置使用这种液晶组合物。
• Trifluorobenzene derivatives and liquid crystal compositions containing the same
  申请人：Chisso Corporation

  公开号：EP0387032A1

  公开（公告）日：1990-09-12

  Trifluorobenzene derivatives having good stability and a large positive dielectric anisotropy value and which may be used in liquid crystal compositions, have the formula: wherein R represents an alkyl group of 1 to 10 carbon atoms in which one -CH₂- group or two non-adjacent -CH₂- groups may be replaced by an oxygen atom and/or a -CO- group and/or a -COO- group and/or a -CH=CH- group; -A- and -B- each represent a 1,4-cyclohexylene, 1,4-phenylene, pyrimidine-2,5-­diyl or 1,3-dioxane-2,5-diyl group; 1 represents 0, 1 or 2; m represents 0, 1 or 2 and 1+m≧1; and Z¹ and Z² are the same or different and each represents a group -COO-, -CH₂CH₂-, -OCH₂-, -CH₂- or -CH=CH-, or a single bond.

  三氟苯衍生物具有良好的稳定性和较大的正介电各向异性值，可用于液晶组合物，其化学式为 其中 R 代表 1 至 10 个碳原子的烷基，其中一个 -CH₂- 基团或两个不相邻的 -CH₂- 基团可被一个氧原子和/或一个 -CO- 基团和/或一个 -COO- 基团和/或一个 -CH=CH- 基团取代；-A-和-B-各自代表 1,4-环己烯、1,4-亚苯基、嘧啶-2,5-二基或 1,3-二噁烷-2,5-二基； 1 代表 0、1 或 2；m 代表 0、1 或 2 和 1+m≧1；以及 Z¹ 和 Z² 相同或不同，且各自代表基团 -COO-、-CH₂CH₂-、-OCH₂-、-CH₂- 或 -CH=CH-，或单键。