4-(反式,反式-4-丙基双环己基)-2,3-二氟乙氧基苯 | 123560-48-5

• 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 - 苯酚醚
• 中文名称: 4-(反式,反式-4-丙基双环己基)-2,3-二氟乙氧基苯
• 中文别名: 丙基双环己基-2,3-二氟苯乙醚
• 英文名称: trans-4-propyl-trans-4'-(2,3-difluoroethoxyphenyl)-1,1'-bicyclohexyl
• 英文别名: 1-(4-propylcyclohexyl)cyclohexyl-2,3-difluoro-4-ethoxybenzene；2,3-difluoro-1-(4-propylbicyclohexyl)-4-ethoxybenzene；2,3-difluoro-4-(4-(4-propylcyclohexyl)-cyclohexyl)-1-ethoxybenzene；1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
• CAS: 123560-48-5
• 化学式: C₂₃H₃₄F₂O
• 分子量: 364.519
• InChiKey: CFJCNWQXOICKIF-UHFFFAOYSA-N

物化性质

• 熔点：
  77.0 to 81.0 °C
• 沸点：
  419.3±45.0 °C(Predicted)
• 密度：
  1.030±0.06 g/cm3 (20 ºC 760 Torr)
• 溶解度：
  溶于甲苯
• LogP：
  5.7 at 25℃

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  29093090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

反应信息

• 作为反应物：
  描述：

  4-(反式,反式-4-丙基双环己基)-2,3-二氟乙氧基苯 在 三溴化硼 、 potassium carbonate 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 2,3-difluoro-1-(4-propylbicyclohexyl)-4-(2,2-difluoroethyleneoxy)benzene
  参考文献：
  名称：

  CN111454729

  摘要：

  公开号：

文献信息

• Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device
  申请人：Shimada Teru

  公开号：US20080063814A1

  公开（公告）日：2008-03-13

  A liquid crystal compound selected from a group of compounds represented by formula (a): wherein Ra and Rb are each independently hydrogen, alkyl having 1 to 10 carbons or alkenyl having 2 to 10 carbons, provided that in the alkyl, —CH 2 — may be replaced by —O—, but plural —O— are not adjacent to each other, and hydrogen may be replaced by fluorine; ring A 1 and ring A 2 are each independently trans-1,4-cyclohexylene or 1,4-phenylene, provided that one or two hydrogens of the 1,4-phenylene may be replaced by halogen, and in a 6-membered ring of these groups, one —CH 2 — or two —CH 2 — that are not adjacent to each other may be replaced by —O—, and one or two —CH═ may be replaced by —N═; Z 1 and Z 2 are each independently a single bond, —(CH 2 ) 2 —, —(CH 2 ) 4 —, —CH═CH—, —C≡—, —CH 2 O—, —OCH 2 —, —COO—, —OCO— or —OCF 2 —; l and m are each independently 0, 1 or 2, provided that l+m is 0, 1, 2 or 3; and n is an integer of from 0 to 6, provided that in —(CH 2 ) n —, —CH 2 — may be replaced by —O—, but plural —O— are not adjacent to each other, and hydrogen may be replaced by fluorine.

  从由式（a）表示的化合物组中选择的液晶化合物： 其中Ra和Rb分别独立地是氢、具有1至10个碳的烷基或具有2至10个碳的烯基，前提是在烷基中，-CH2-可以被-O-替换，但多个-O-不相邻，氢可以被氟替换；环A1和环A2分别独立地是反-1,4-环己烯基或1,4-苯基，前提是1,4-苯基的一个或两个氢可以被卤素替换，在这些基团的6元环中，一个不相邻的- -或两个不相邻的- -可以被-O-替换，一个或两个-CH═可以被-N═替换；Z1和Z2分别独立地是单键，-( )2-，-( )4-，-CH═CH-，-C≡-，- O-，-O -，-COO-，-OCO-或-OCF2-；l和m分别独立地是0、1或2，前提是l+m为0、1、2或3；n是0至6的整数，前提是在-( )n-中，- -可以被-O-替换，但多个-O-不相邻，氢可以被氟替换。
• POLYMERIZABLE COMPOUND, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME
  申请人：DIC Corporation

  公开号：US20210214299A1

  公开（公告）日：2021-07-15

  The present invention provides a compound represented by formula (i), a liquid crystal composition using the compound, and a liquid crystal display device using the liquid crystal composition. The compound represented by formula (i) has a partial structure K i1 represented by any of general formulas (K-1) to (K-17) and further has ring B having at least two P-Sp- groups. Therefore, when used for a liquid crystal composition, the compound adsorbs to substrates sandwiching the liquid crystal composition (liquid crystal layer) and allows liquid crystal molecules to be held such that they are aligned in a vertical direction without a PI layer, and improved alignment stability and low-temperature storage stability can be achieved.

  本发明提供了一种由式（i）表示的化合物，使用该化合物的液晶组合物，以及使用该液晶组合物的液晶显示装置。式（i）表示的化合物具有由一般式（K-1）至（K-17）中的任何一个表示的部分结构Ki1，并且进一步具有至少两个P-Sp-基团的环B。因此，当用于液晶组合物时，该化合物吸附到夹持液晶组合物（液晶层）的基板上，并允许液晶分子被保持，使它们在垂直方向上对齐而无需PI层，并且可以实现改善的对齐稳定性和低温储存稳定性。
• LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：KOBAYASHI Masahide

  公开号：US20120193577A1

  公开（公告）日：2012-08-02

  The invention provides a liquid crystal compound having a high stability to heat, light or the like, a wide temperature range of a nematic phase, a small viscosity, a suitable optical anisotropy, a large elastic constant K 33 , a large negative dielectric anisotropy and an excellent compatibility with other liquid crystal compounds. The invention provides a liquid crystal composition having characteristics similar to these of the compound. The invention provides a liquid crystal display device having a short response time, low electric power consumption, a low driving voltage, a large contrast and a wide temperature range in which the device can be used. The compound is a 2,3-difluorobenzene derivative (1) having a combination of a cyclohexane ring, a cyclohexene ring or a benzene ring phenyl and a butene bonding group. The liquid crystal composition includes this compound, and the liquid crystal display device contains this composition.

  该发明提供了一种液晶化合物，具有高热稳定性、耐光性等特点，具有宽的向列相温度范围，低粘度，适当的光学各向异性，大的弹性常数K33，大的负介电各向异性，并且与其他液晶化合物具有良好的兼容性。该发明提供了一种具有与该化合物相似特性的液晶组合物。该发明提供了一种具有短响应时间、低电功耗、低驱动电压、大对比度和可以使用的宽温度范围的液晶显示装置。该化合物是一种2,3-二氟苯衍生物(1)，具有环己烷环、环己烯环或苯环苯基和丁烯键合基的组合。该液晶组合物包括这种化合物，液晶显示装置包含该组合物。
• COMPOUND HAVING A DIFLUOROCYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20170210991A1

  公开（公告）日：2017-07-27

  A liquid crystal compound represented by R 1 and R 2 are independently hydrogen, fluorine, chlorine, alkyl or the like; ring A 1 and ring A 3 are independently 1,4-cyclohexylene, 1,4-phenylene or the like; and A 2 is a divalent group represented by formula (A-1) or formula (A-2) Z 1 , Z 2 , Z 3 , Z 4 and Z 5 are independently a single bond, —COO— or the like; and a to d is 0, 1 or the like.

  由R1和R2独立表示为氢、氟、氯、烷基或类似物的液晶化合物；环A1和环A3独立表示为1,4-环己烯基、1,4-苯基或类似物；A2是由式（A-1）或式（A-2）表示的二价基团Z1、Z2、Z3、Z4和Z5独立表示为单键、—COO—或类似物；a至d为0、1或类似值。
• 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 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—，— —O—，—O— —，—CF2—O—，—O—CF2—，—CH═CH—，—CF═CF—，—C≡C—，— — —CO—O—，—O—CO— — —，— — —，—CF2—CF2—，—( )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 和/或F替换，1-环己烯-1,4-二基，其中一个氢原子可以被 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。