4-辛氧基苯甲酸-4-戊氧基苯酯 | 65629-01-8

• 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
• 中文名称: 4-辛氧基苯甲酸-4-戊氧基苯酯
• 英文名称: Benzoic acid, 4-(octyloxy)-, 4-(pentyloxy)phenyl ester
• 英文别名: (4-pentoxyphenyl) 4-octoxybenzoate
• CAS: 65629-01-8
• 化学式: C₂₆H₃₆O₄
• mdl: MFCD00804646
• 分子量: 412.6
• InChiKey: NZUOOQPMLNOOJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  30
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Optically active mesomorphic compound
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0255962A2

  公开（公告）日：1988-02-17

  An optically active mesomorphic compound represented by the formula (III) is obtained through an optically active compound represented by the formula (I) and then through a compound represented by the formula (II), respectively, shown below. In the above formulas, R represents a linear, branched or cyclic saturated or unsaturated hydrocarbon group having 1 - 18 carbon atoms each capable of having a substituent, C* represents an asymmetric carbon atom, k is an integer of from 2 to 5, A is a releasable active group such as hydroxyl, I is 0 or 1, and when I is 1, m is 0, 1 or 2 and n is 0 or 1; R1 represents an alkyl or alkoxy group having 1 - 18 carbon atoms; and respectively denote p, q and r are respectively 0 or 1 satisfying the relation of p+q+r ≥ 1.

  如下图所示，分别通过式（I）代表的光学活性化合物和式（II）代表的化合物获得式（III）代表的光学活性介形化合物。 在上述式中，R 代表具有 1 - 18 个碳原子的线性、支链或环状饱和或不饱和烃基，每个烃基可具有一个取代基，C* 代表不对称碳原子，k 为 2 - 5 的整数，A 为可释放的活性基团，如羟基，I 为 0 或 1，当 I 为 1 时，m 为 0、1 或 2，n 为 0 或 1；R1 代表具有 1 - 18 个碳原子的烷基或烷氧基； 和 分别表示 p、q 和 r 分别为 0 或 1，满足 p+q+r ≥ 1 的关系。
• Optically active compound, process for producing same and liquid crystal composition containing same
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP0300497A1

  公开（公告）日：1989-01-25

  An optically active functional compound represented by the following formula (1) is disclosed: wherein R denotes an alkyl group having 1 - 14 carbon atoms; -X- denotes Y denotes a single bond, or -0-; n = 0, 1 or 2; and C* denotes an asymmetric carbon atom. The compound of the formula (1) may be produced through an optically active compound of the following formula (2) or (3): The compounds of the above formulas (1) - (3) are all characterized by a trifluoromethyl group providing a large spontaneous polarization attached to an asymmetric carbon atom.

  本发明公开了由下式(1)代表的光学活性官能团化合物： 其中 R 表示具有 1 - 14 个碳原子的烷基； -X- 表示 Y 表示单键 或-0-；n = 0、1 或 2；C* 表示不对称碳原子。式（1）化合物可通过下式（2）或（3）的光学活性化合物制得： 上述式（1）-（3）化合物的特征都是在不对称碳原子上连接了一个具有较大自发极性的三氟甲基。
• Optical active compounds and liquid crystal compositions containing such compounds
  申请人：WAKO PURE CHEMICAL INDUSTRIES, LTD

  公开号：EP0402110A1

  公开（公告）日：1990-12-12

  An optical active compound of the formula: wherein R is alkyl or alkoxy, R* is an optical active alkyl group, X is alkyl or halogen, Y is a single bond and C* is an asymmetric carbon, is chemically stable and shows or induces large spontaneous polarization and is useful in a chiral liquid crystal composition.

  式中的光学活性化合物： 其中 R 是烷基或烷氧基，R* 是光学活性烷基，X 是烷基或卤素，Y 是单键 和 C* 是不对称碳，化学性质稳定，可显示或诱导较大的自发极化，适用于手性液 晶组合物。
• Fluorinated phenyl esters and liquid crystal materials and devices containing them
  申请人：Secretary of State for Defence in Her Britannic Majesty's Gov. of the United Kingdom of Great Britain and Northern Ireland

  公开号：EP0210215B1

  公开（公告）日：1990-03-14
• BIPHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM
  申请人：The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and

  公开号：EP0210215A1

  公开（公告）日：1987-02-04