2,5-bis[(4'-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl bromide | 408492-97-7

• 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: 2,5-bis[(4'-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl bromide
• CAS: 408492-97-7
• 化学式: C₃₁H₂₅BrF₁₀O₆
• 分子量: 763.424
• InChiKey: YQLOVRBITLOXDT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.73
• 重原子数：
  48.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  potassium bicyclo[2.2.1]hept-2-ene-5-carboxylate 、 2,5-bis[(4'-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl bromide 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 22.0h， 生成 endo-5-{[[2',5'-bis[(4''-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl]oxy]carbonyl}bicyclo[2.2.1]hept-2-ene 、 exo-5-{[[2',5'-bis[(4''-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl]oxy]carbonyl}bicyclo[2.2.1]hept-2-ene
  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：

  ethyl 4-(n-(pentafluoroethyl)propoxy)benzoate 在 4-二甲氨基吡啶 、 sodium hydroxide 、 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 乙醇 、 二氯甲烷 、 水 、 苯 为溶剂， 反应 4.0h， 生成 2,5-bis[(4'-(n-(pentafluoroethyl)propoxy)benzoyl)oxy]benzyl bromide
  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