3,5-difluoro-4-cyanophenyl 4-(2-(trans-4-butoxymethyl)cyclohexyl)ethyl benzoate | 183240-63-3

• 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
• 英文名称: 3,5-difluoro-4-cyanophenyl 4-(2-(trans-4-butoxymethyl)cyclohexyl)ethyl benzoate
• CAS: 183240-63-3
• 化学式: C₂₇H₃₁F₂NO₃
• 分子量: 455.545
• InChiKey: LRHCCZPWTZLQGA-XUTJKUGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.61
• 重原子数：
  33.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  59.32
• 氢给体数：
  0.0
• 氢受体数：
  4.0

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-。
• US5755994A
  申请人：——

  公开号：US5755994A

  公开（公告）日：1998-05-26