2-Propyldecahydroazulene-6-carboxylic acid | 917884-25-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Propyldecahydroazulene-6-carboxylic acid
• 英文别名: 2-propyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-6-carboxylic acid
• CAS: 917884-25-4
• 化学式: C₁₄H₂₄O₂
• 分子量: 224.34
• InChiKey: PMOIQWGRQOHQQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES
  申请人：Pohl Ludwig

  公开号：US20100264368A1

  公开（公告）日：2010-10-21

  Liquid Crystal Molecules Comprising Hydroazulene Structures Compounds of formula (I); R 1 i -A 1 i -(Z 2 i -A 2 i )m-(Z 3 i -A 3 i ) n -(Z 4 i -A 4 i ) o -R 2 i (i) wherein at least one of the divalent groups A i is derived from at least partially hydrogenated azulene, R 1 i and R 2 i being hydrogen, an optionally substituted alkyl or alkylene residue, R 2 i also standing for —CN, —N═C═S, —F, —Cl, —SF 5 , —CF 3 , —CHF 2 , CH 2 F—O—CF 3 , —O—CHF 2 , —O—CH 2 F, —O—CF 2 —CF 2 H, or —O—C 2 F 5 , A 1 i , A 2 i , A 3 i and A 4 i being partially or completely hydrogenated 2,6-azulene, trans-1,4-cyclohexylene, 1,4-cyclohexenylene, 1,4-phenylene, 2-fluoro-1,4-phenylene, 3-fluoro-14-phenylene, 2,3- and 2,6-difluoro-1,4-phenylene, and 3,5-difluoro-1,4-phenylene, pyrimidine-2,5-diyl, and 1,4-dioxane-2,5-diyl, Z 1 i , Z 2 i , Z 3 i and Z 4 i being a single bond, —CH 2 —CH 2 —, —CF 2 —CF 2 —, an ester bond —CO—O—, trans and —CF 2 —O—, m, n and 0 being independently 0, 1, or 2, liquid crystal media comprising these compounds and liquid crystal displays made with mixtures comprising the novel compounds.

  由氢化蓝芽结构组成的液晶分子化合物，化学式为（I）; R1i-A1i-(Z2i-A2i)m-(Z3i-A3i)n-(Z4i-A4i)o-R2i(i)。其中，至少有一个双价基团Ai来源于至少部分氢化的蓝芽，R1i和R2i为氢，可选地取代的烷基或烷基残基，R2i还代表-CN，-N═C═S，-F，-Cl，-SF5，-CF3，-CHF2，CH2F-O-CF3，-O-CHF2，-O-CH2F，-O-CF2-CF2H或-O-C2F5，A1i，A2i，A3i和A4i为部分或完全氢化的2,6-蓝芽，trans-1,4-环己基，1,4-环己烯基，1,4-苯基，2-氟-1,4-苯基，3-氟-14-苯基，2,3-和2,6-二氟-1,4-苯基，以及3,5-二氟-1,4-苯基，嘧啶-2,5-二基和1,4-二氧杂环己烷-2,5-二基，Z1i，Z2i，Z3i和Z4i为单键，-CH2-CH2-，-CF2-CF2-，酯键-CO-O-，反式和-CF2-O-，m，n和0独立地为0、1或2，液晶介质包括这些化合物和由包含新化合物的混合物制成的液晶显示器。
• [EN] LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES<br/>[FR] MOLÉCULES DE CRISTAUX LIQUIDES COMPRENANT DES STRUCTURES D'HYDROAZULÈNES
  申请人：POHL LUDWIG

  公开号：WO2006136345A1

  公开（公告）日：2006-12-28

  [EN] Liquid Crystal Molecules Comprising Hydroazulene Structures Compounds of formula (I); R¹ _i
  [FR] Molécules de cristaux liquides comprenant des composés ayant des structures d'hydroazulènes de formule (I) : R¹ _i