ethyl 4-(n-(pentafluoroethyl)pentoxy)benzoate | 408492-70-6

• 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: ethyl 4-(n-(pentafluoroethyl)pentoxy)benzoate
• 英文别名: ethyl 4-(6,6,7,7,7-pentafluoroheptoxy)benzoate
• CAS: 408492-70-6
• 化学式: C₁₆H₁₉F₅O₃
• 分子量: 354.317
• InChiKey: SQSIKYZNONPULM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.0
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  ethyl 4-(n-(pentafluoroethyl)pentoxy)benzoate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 4-(n-(pentafluoroethyl)pentoxy)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
• 作为产物：
  描述：

  五氟碘乙烷 、 ethyl 4-(pent-4-en-1-yloxy)benzoate 在 偶氮二异丁腈 、 三正丁基氢锡 作用下， 反应 2.0h， 生成 ethyl 4-(n-(pentafluoroethyl)pentoxy)benzoate
  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