反,反-4-(2,3-二氟-4-甲基苯基)-4'-乙基联环己烷 | 174350-08-4

• 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,反-4-(2,3-二氟-4-甲基苯基)-4'-乙基联环己烷
• 中文别名: [反式(反式)]-1-(4'-乙基[1,1'-联环己烷]-4-基)-2,3-二氟-4-甲基苯
• 英文名称: (trans,trans)-4-(2,3-Difluoro-4-methylphenyl)-4'-ethyl-1,1'-bi(cyclohexane)
• 英文别名: 1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methylbenzene
• CAS: 174350-08-4；207598-81-0
• 化学式: C₂₁H₃₀F₂
• 分子量: 320.5
• InChiKey: GDXLAJNVPUQWRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  23
• 可旋转键数：
  3
• 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：
  2

文献信息

• Fluorinated polycycles and their use in liquid-crystal mixtures
  申请人：Wingen Rainer

  公开号：US20050098762A1

  公开（公告）日：2005-05-12

  Compounds of the formula (I) where: R 1 , R 2 are each independently a) H b) -M 1 -A 1 -R 5 c) a straight-chain or branched alkyl radical having from 1 to 16 carbon atoms or astraight-chain or branched alkenyl radical having from 2 to 16 carbon atoms, where c1) one or more nonadjacent and nonterminal CH 2 groups may be replaced by —O—, —C(═O)O—, —O—C(═O)—, —O—C(═O)—O—, —C(═O)— or —Si(CH 3 ) 2 —, and/or c2) one CH 2 group may be replaced by —C≡C—, cyclopropane-1,2-diyl, cyclobutane-1,3-diyl, cyclohexane-1,4-diyl or phenylene-1,4-diyl, and/or c3) one or more hydrogen atoms may be replaced by F and/or Cl, p, q, r are each independently 0 or 1 M 1 —is —CO—O—, —O—CO—, —CH 2 —O—, —O—CH 2 —, —CF 2 —O—, —O—CF 2 —, —CH═CH—, —CF═CF—, —C≡C—, —CH 2 —CH 2 —CO—O—, —O—CO—CH 2 —CH 2 —, —CH 2 —CH 2 —, —CF 2 —CF 2 —, —(CH 2 ) 4 —, —OC(═O)CF═CF— or a single bond, A 1 is 1,4-phenylene where one or two hydrogen atoms may be replaced by F, Cl, CN and/or OCF 3 , or up to three hydrogen atoms may be replaced by fluorine, 1,4-cyclohexylene where one or two hydrogen atoms may be replaced by CH 3 and/or F, 1-cyclohexene-1,4-diyl where one hydrogen atom may be replaced by CH 3 or F, or 1,3-dioxane-2,5-diyl, R 5 has the same possible definitions as R and R with the exception of -M 1 -A 1 -R 5 , with the provisos that: a) at least one of p, q, r is 1 b) R 1 and R 2 must not at the same time be H are used in liquid-crystal mixtures.

  化合物的结构式（I）如下：其中：R1，R2分别独立地为a）Hb）-M1-A1-R5c）具有1至16个碳原子的直链或支链烷基基团或具有2至16个碳原子的直链或支链烯基基团，其中c1）一个或多个非相邻且非末端的CH2基团可以被替换为—O—，—C(═O)O—，—O—C(═O)—，—O—C(═O)—O—，—C(═O)—或—Si(CH3)2—，和/或c2）一个CH2基团可以被—C≡C—，环丙烷-1,2-二基，环丁烷-1,3-二基，环己烷-1,4-二基或苯基-1,4-二基替换，和/或c3）一个或多个氢原子可以被F和/或Cl替换，p，q，r分别独立地为0或1M1为—CO—O—，—O—CO—，—CH2—O—，—O—CH2—，—CF2—O—，—O—CF2—，—CH═CH—，—CF═CF—，—C≡C—，—CH2—CH2—CO—O—，—O—CO—CH2—CH2—，—CH2—CH2—，—CF2—CF2—，—(CH2)4—，—OC(═O)CF═CF—或单键，A1为1,4-苯基，其中一个或两个氢原子可以被F，Cl，CN和/或OCF3替换，或最多三个氢原子可以被氟替换，1,4-环己基，其中一个或两个氢原子可以被CH3和/或F替换，1-环己烯-1,4-二基，其中一个氢原子可以被CH3或F替换，或1,3-二氧杂环戊烷-2,5-二基，R5具有与R和R相同的可能定义，但不包括-M1-A1-R5，条件是：a）p，q，r中至少有一个为1b）R1和R2不能同时为H，用于液晶混合物。
• Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof
  申请人：Shijiazhuang Chengzhi Yonghua Display Materials Co., Ltd.

  公开号：US20150152330A1

  公开（公告）日：2015-06-04

  A negative dielectric anisotropic liquid crystal compound containing 2,3-difluorophenyl, and a preparation method and use thereof are disclosed. The compound has a general structural formula as shown in Formula I. The negative dielectric anisotropic liquid crystal compound has a negative dielectric anisotropy (Δε), and has cyclobutyl or cyclopentyl as a terminal group. Compared with conventional liquid crystal compounds with a flexible alkyl chain as a terminal group, the compound of Formula I according to the present invention has the advantage of high clearing point, and enables extension of the application range of a liquid crystal mixture because a positive correlation exists between the clearing points of the liquid crystal mixture and monomer liquid crystal compounds. In addition, the compound can increase the absolute value of the negative dielectric constant of the liquid crystal mixture, thus having an important application value.

  本公开揭示了一种含有2,3-二氟苯基的负介电各向异性液晶化合物，以及其制备方法和用途。该化合物具有如化学式I所示的一般结构式。该负介电各向异性液晶化合物具有负的介电各向异性（Δε），并且具有环丁基或环戊基作为末端基团。与末端基团为柔性烷基链的传统液晶化合物相比，根据本发明的化合物具有高清晰点的优点，并且能够扩展液晶混合物的应用范围，因为液晶混合物的清晰点与单体液晶化合物的清晰点之间存在正相关关系。此外，该化合物可以增加液晶混合物的负介电常数的绝对值，因此具有重要的应用价值。
• LIQUID CRYSTAL COMPOUNDS OF CYCLOALKYL-CONTAINING DIBENZOFURAN DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd

  公开号：US20180112132A1

  公开（公告）日：2018-04-26

  Disclosed are liquid crystal compounds of cycloalkyl-containing dibenzofuran derivatives, a preparation method therefor and use thereof. The compounds are as represented by formula I. In the molecular structures of the compounds of formula I provided by the present invention, liquid crystal compounds of cycloalkyl terminal group-containing dibenzofuran derivatives, compared with those having flexible alkyl chains as terminal groups, exhibit better intersolubility, and thus the use of a compound as represented by formula I provided by the present invention can improve the intersolubility of a liquid crystal compound and extend the application range of a liquid crystal mixture, producing an important application value.

  本发明揭示了环烷基含有二苯并呋喃衍生物的液晶化合物，其制备方法和用途。该化合物如公式I所示。在本发明提供的公式I化合物的分子结构中，与具有柔性烷基链作为末端基团的化合物相比，含有环烷基末端基团的二苯并呋喃衍生物的液晶化合物表现出更好的互溶性，因此使用本发明提供的公式I所代表的化合物可以改善液晶化合物的互溶性并扩展液晶混合物的应用范围，产生重要的应用价值。
• SPONTANEOUS ORIENTATION AID FOR LIQUID CRYSTAL COMPOSITION, COMPOUND SUITABLE FOR SAID SPONTANEOUS ORIENTATION AID, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：DIC Corporation

  公开号：US20190203122A1

  公开（公告）日：2019-07-04

  The present invention provides a spontaneous orientation aid for a liquid crystal composition, containing one kind or two or more kinds of a compound having a partial structure represented by the general formula (i), wherein Z i1 represents a single bond, etc.; A i1 represents a divalent 6-membered aromatic group, etc.; m i1 represents an integer of 1 to 5; and K i1 represents a structure represented by any of the following formulae (K-1) to (K-8), wherein W K1 represents a methine group, etc.; X K1 and Y K1 each represent —CH 2 —, etc.; Z K1 represents an oxygen atom, etc.; and U K1 , V K1 , and S K1 each represent a methine group, etc.:

  本发明提供了一种液晶组分的自发定向助剂，包含一种或两种或更多种具有由通式（i）表示的部分结构的化合物，其中Zi1表示单键等；Ai1表示二价的6元芳香基团等；mi1表示1到5的整数；Ki1表示由以下任一公式（K-1）至（K-8）表示的结构，其中WK1表示甲烷基等；XK1和YK1分别表示—CH2—等；ZK1表示氧原子等；UK1、VK1和SK1各表示甲烷基等：
• CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：GOTO YASUYUKI

  公开号：US20090264683A1

  公开（公告）日：2009-10-22

  Such a liquid crystal compound is provided that has stability to heat, light and so forth, has a nematic phase in a wide temperature range, has a small viscosity, a suitable optical anisotropy, and suitable elastic constants K 33 and K 11 (K 33 : bend elastic constant, K 11 : splay elastic constant), and has suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds. A liquid crystal composition containing the liquid crystal compound, and a liquid crystal display device containing the liquid crystal composition are also provided. The liquid crystal compound is represented by one of formulas (a) to (d), the liquid crystal composition contains the liquid crystal compound, and the liquid crystal display device contains the liquid crystal composition: wherein Ra and Rb are independently linear alkyl or linear alkoxy, rings A 1 , A 2 , B and C are independently trans-1,4-cyclohexylene or 1,4-phenylene, Z 11 , Z 12 , Z 2 and Z 3 are independently a single bond or alkylene, and one of X 1 and X 2 is fluorine, and the other thereof is chlorine.

  提供一种液晶化合物，具有对热、光等的稳定性，在广泛的温度范围内具有向列相，具有较小的粘度，适当的光学各向异性和适当的弹性常数K33和K11(K33：弯曲弹性常数，K11：扭曲弹性常数)，并具有适当的负介电各向异性和与其他液晶化合物的良好相容性。还提供了一种含有该液晶化合物的液晶组合物和一种含有该液晶组合物的液晶显示装置。该液晶化合物由公式(a)到(d)中的一种表示，液晶组合物含有该液晶化合物，液晶显示装置含有该液晶组合物：其中Ra和Rb独立地是线性烷基或线性烷氧基，环A1、A2、B和C独立地是trans-1,4-环己基或1,4-苯基，Z11、Z12、Z2和Z3独立地是单键或烷基，X1和X2中的一个是氟，另一个是氯。