2-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-propylcyclohexyl)-1,3-dioxane | 798556-07-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[4-[Difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-propylcyclohexyl)-1,3-dioxane
• CAS: 798556-07-7
• 化学式: C₂₆H₂₇F₇O₃
• 分子量: 520.5
• InChiKey: FNRHWYUKFOBSQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY
  申请人：DIC Corporation

  公开号：EP2883938A1

  公开（公告）日：2015-06-17

  There is provided a liquid crystal composition containing at least any one of compounds represented by General Formula (i) and at least any one of compounds represented by General Formula (ii). In the formulae, Ri1 represents an alkyl group having 1 to 8 carbon atoms; and Ai1 represents a 1,4-cyclohexylene group (of which one -CH2- or at least two -CH2- not adjoining each other are optionally substituted with -O-), a 1,4-phenylene group (of which at least one hydrogen atom is optionally substituted with a fluorine atom), or a single bond; Rii1 represents an alkyl group having 1 to 8 carbon atoms; and one -CH2- or at least two -CH2- not adjoining each other in the alkyl group are each independently optionally substituted with -CH=CH-, -C=C-, -O-, -CO-, -COO-, or -OCO-; Rii2 represents a fluorine atom, a chlorine atom, a cyano group, or an alkyl group having 1 to 8 carbon atoms; one-CH2- or at least two -CH2- not adjoining each other in the alkyl group are each independently optionally substituted with -CH=CH-, -C=C-, -O-, -CO-, -COO-, or -OCO-; and one or two or more hydrogen atoms of the alkyl group are each independently optionally substituted with a fluorine atom; Aii1 and Aii2 each independently represent a 1,4-cyclohexylene group (of which one -CH2- or at least two -CH2- not adjoining each other are optionally substituted with -O-) or a 1,4-phenylene group (of which at least one hydrogen atom is optionally substituted with a fluorine atom); Zii1 and Zii2 each independently represent a single bond, - CH2CH2-, -(CH2)4-, -CH2-, -CH2O-, -OCF2-, -CF2O-, -COO-, -OCO-, or -C=C-; mii1 and mii2 each independently represent 0, 1, 2, or 3; and mii1 + mii2 is equal to 1, 2, 3, or 4; in the case where Aii1 and Zii1 are multiple, the Aii1 moieties and the Zii1 moieties are the same as or different from each other, respectively; and in the case where Aii2 and Zii2 are multiple, the Aii2 moieties and the Zii2 moieties are the same as or different from each other, respectively. [Chem. 1]

  本发明提供了一种液晶组合物，其中含有通式(i)和通式(ii)所代表的至少任一种化合物。 在通式中，Ri1 代表具有 1 至 8 个碳原子的烷基；Ai1 代表 1，4-环己烯基团（其中一个-CH2-或至少两个互不相邻的- -任选被-O-取代）、1，4-亚苯基基团（其中至少一个氢原子任选被氟原子取代）或单键； Rii1 代表具有 1 至 8 个碳原子的烷基； 烷基中的一个- -或至少两个互不相邻的- -各自独立地任选被-CH=CH-、-C=C-、-O-、-CO-、-COO-或-OCO-取代； Rii2 代表氟原子、氯原子、氰基或具有 1 至 8 个碳原子的烷基；烷基中的一个- -或至少两个互不相邻的- -各自独立地任选被-CH=CH-、-C=C-、-O-、-CO-、-COO-或-OCO-取代；以及烷基中的一个或两个或多个氢原子各自独立地任选被氟原子取代； Aii1 和 Aii2 各自独立地代表 1,4-环己烯基团（其中一个- -或至少两个互不相邻的- -任选被-O-取代）或 1,4-苯基团（其中至少一个氢原子任选被氟原子取代）； Zii1和Zii2各自独立地代表单键、- -、-( )4-、- -、- O-、-OCF2-、-CF2O-、-COO-、-OCO-或-C=C-； mii1 和 mii2 各自独立地代表 0、1、2 或 3；且 mii1 + mii2 等于 1、2、3 或 4； 在 Aii1 和 Zii1 为多个的情况下，Aii1 分子和 Zii1 分子分别彼此相同或不同；以及 在 Aii2 和 Zii2 为多个的情况下，Aii2 分子和 Zii2 分子分别相同或不同。 [化学 1］
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME
  申请人：DIC Corporation

  公开号：EP2806010B1

  公开（公告）日：2017-07-26
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT EMPLOYING SAME
  申请人：DIC Corporation

  公开号：EP2818533B1

  公开（公告）日：2017-05-17
• LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：DIC Corporation

  公开号：EP2883938B1

  公开（公告）日：2017-10-25
• Liquid crystal composition and liquid crystal display element
  申请人：DIC CORPORATION

  公开号：US20150108403A1

  公开（公告）日：2015-04-23

  There is provided a liquid crystal composition comprising: at least one kind of a compound represented by the following formula (i); and at least one kind of a compound represented by the following formula (ii). In the formulae, each of R i1 , R i2 and R ii1 independently represents an alkyl group having a carbon number of 1-8; one of the alkyl groups, or two or more of the alkyl groups being noncontiguous, include —CH 2 — which can be independently substituted by —CH═CH—, —C≡C—, —O—, —CO—, —COO— or —OCO—; hydrogen atom in the alkyl group can be substituted by fluorine atom or chlorine atom; and each of X i1 , X i2 , X i3 and X i4 independently represents hydrogen atom or fluorine atom.