4-(n-(pentafluoroethyl)propoxy)benzoic acid | 408492-73-9

• 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: 4-(n-(pentafluoroethyl)propoxy)benzoic acid
• 英文别名: 4-(4,4,5,5,5-Pentafluoropentoxy)benzoic acid
• CAS: 408492-73-9
• 化学式: C₁₂H₁₁F₅O₃
• 分子量: 298.21
• InChiKey: GIULVXYGBYHRNB-UHFFFAOYSA-N

物化性质

• 沸点：
  317.7±42.0 °C(Predicted)
• 密度：
  1.359±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(n-(pentafluoroethyl)propoxy)benzoic acid 在 4-二甲氨基吡啶 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 对甲苯磺酸 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 4.0h， 生成 2,5-bis[(4'-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl dibromide
  参考文献：
  名称：

  Induction of Smectic Layering in Nematic Liquid Crystals Using Immiscible Components. 5. Laterally Attached Side-Chain Liquid Crystalline Poly(norbornene)s and Their Low Molar Mass Model Compounds with Short Fluorocarbon Segments

  摘要：

  5-[[[2',5'-Bis[(4"-n-((perfluoroalkyl)alkoxy)benzoyl)oxy]benzyl]oxy]carbonyl]bicyclo[2.2.1]hept-2-enes with short fluorocarbon segments were polymerized by ring-opening metathesis polymerization in THF at room temperature using Mo(CHCMe2Ph)(N-2,6-'Pr2Ph)(O'Bu)(2) as the initiator. Although hydrocarbon and fluorocarbon segments as short as three methylenic units each induce smectic layering in the corresponding 2,5-bis{[4'-(n-(perfluoroalkyl)alkoxy)benzoyl]oxy}toluene model compounds, the polymers require at least eight and three, or five and four methylenic units in the hydrocarbon and fluorocarbon segments, respectively, to organize into smectic layers; polymers with shorter hydrocarbon and/or fluorocarbon segments are nematic.

  DOI：

  10.1021/ma0113430
• 作为产物：
  描述：

  4-丙-2-烯氧基苯甲酸乙酯 在 sodium hydroxide 、 偶氮二异丁腈 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 生成 4-(n-(pentafluoroethyl)propoxy)benzoic acid
  参考文献：
  名称：

  Induction of Smectic Layering in Nematic Liquid Crystals Using Immiscible Components. 5. Laterally Attached Side-Chain Liquid Crystalline Poly(norbornene)s and Their Low Molar Mass Model Compounds with Short Fluorocarbon Segments

  摘要：

  5-[[[2',5'-Bis[(4"-n-((perfluoroalkyl)alkoxy)benzoyl)oxy]benzyl]oxy]carbonyl]bicyclo[2.2.1]hept-2-enes with short fluorocarbon segments were polymerized by ring-opening metathesis polymerization in THF at room temperature using Mo(CHCMe2Ph)(N-2,6-'Pr2Ph)(O'Bu)(2) as the initiator. Although hydrocarbon and fluorocarbon segments as short as three methylenic units each induce smectic layering in the corresponding 2,5-bis{[4'-(n-(perfluoroalkyl)alkoxy)benzoyl]oxy}toluene model compounds, the polymers require at least eight and three, or five and four methylenic units in the hydrocarbon and fluorocarbon segments, respectively, to organize into smectic layers; polymers with shorter hydrocarbon and/or fluorocarbon segments are nematic.

  DOI：

  10.1021/ma0113430

文献信息

• LIQUID CRYSTAL ALIGNING AGENT, METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JSR Corporation

  公开号：EP2182405A1

  公开（公告）日：2010-05-05

  The present invention relates to a liquid crystal aligning agent which contains a reaction product of at least one selected from the group consisting of a polysiloxane having a structure represented by the following formula (S-1), a hydrolysate thereof and a condensate of the hydrolysate and a compound represented by the following formula (1):         R-Z     (1) (YI in the formula (S-1) is a hydroxyl group, an alkoxyl group having 1 to 10 carbon atoms, an alkyl group having 1 to 6 carbon atoms or an aryl group having 6 to 10 carbon atoms, R in the formula (1) is a group having an alkyl group with 4 to 20 carbon atoms, a fluoroalkyl group with 1 to 20 carbon atoms or a cyclohexyl group, or a group having 17 to 51 carbon atoms and a steroid skeleton, and XI in the formula (S-1) and Z in the formula (1) are reacted with each other to form a bond group for bonding the silicon atom in the formula (S-1) to R in the formula (1)).

  本发明涉及一种液晶对准剂，它含有至少一种选自以下组别的反应产物：具有下式（S-1）所代表结构的聚硅氧烷、其水解物和水解物的缩合物以及下式（1）所代表的化合物： R-Z (1) 式（S-1）中的 YI 是羟基、具有 1 至 10 个碳原子的烷氧基、具有 1 至 6 个碳原子的烷基或具有 6 至 10 个碳原子的芳基，式（1）中的 R 是具有 4 至 20 个碳原子的烷基的基团、式（S-1）中的 XI 和式（1）中的 Z 相互反应形成键基，用于将式（S-1）中的硅原子与式（1）中的 R 键合）。
• EP2182407A1
  申请人：——

  公开号：EP2182407A1

  公开（公告）日：2010-05-05