2-Methyl-1,4-phenylene bis(4-(hex-5-enyloxy)benzoate) | 188639-02-3

• 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-Methyl-1,4-phenylene bis(4-(hex-5-enyloxy)benzoate)
• 英文别名: 2,5-bis[[4'-(n-hex-5''-enyloxy)benzoyl]oxy]toluene；[4-(4-Hex-5-enoxybenzoyl)oxy-3-methylphenyl] 4-hex-5-enoxybenzoate；[4-(4-hex-5-enoxybenzoyl)oxy-3-methylphenyl] 4-hex-5-enoxybenzoate
• CAS: 188639-02-3
• 化学式: C₃₃H₃₆O₆
• 分子量: 528.645
• InChiKey: HOLMHNNGWDDZIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  39
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Methyl-1,4-phenylene bis(4-(hex-5-enyloxy)benzoate) 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 甲苯 、 苯 为溶剂， 反应 6.0h， 生成 C₄₁H₃₆Br₂F₁₈O₆
  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：

  6-溴-1-己烯 在 4-二甲氨基吡啶 、 sodium hydroxide 、 potassium carbonate 、 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 为溶剂， 反应 42.0h， 生成 2-Methyl-1,4-phenylene bis(4-(hex-5-enyloxy)benzoate)
  参考文献：
  名称：

  使用不混溶成分在向列液晶中诱导近晶分层。1. 横向连接的侧链液晶聚（降冰片烯）及其具有烃/氟烃取代基的低摩尔质量类似物

  摘要：

  与仅表现出向列中间相的烃类似物相比，聚{5-[[[[2',5'-双[(4''-(n-(二甲基甲硅烷氧基)烷氧基)苯甲酰基)氧基]苄基]氧基]羰基]双环[2.2.1]hept-2-ene}及其低摩尔质量模型化合物表现出近晶C中间相。由于向列液晶可以通过不仅用碳氟化合物链段而且用柔性硅氧烷链段终止它们的烃取代基而被迫成层，这支持了这样的假设，即含有线性碳氟化合物链段的两亲分子的近晶介晶主要是由于碳氢化合物的不混溶性和碳氟化合物段，而不是“介晶全氟烷基棒”的形状持久性。2、5-双[(4'-(n-(低聚二甲基甲硅烷氧基)烷氧基)苯甲酰基)氧基]甲苯模拟聚合物形成的相和它们转变的一般温度，因此是聚合物的极好模型。5-{[[2',5'-双[(4''-(n-(低聚二甲基甲硅烷氧基)烷氧基)苯甲酰基)氧基]苄基]氧基]...

  DOI：

  10.1021/ja963687p

文献信息

• Induction of Smectic Layering in Nematic Liquid Crystals Using Immiscible Components. 1. Laterally Attached Side-Chain Liquid Crystalline Poly(norbornene)s and Their Low Molar Mass Analogs with Hydrocarbon/Fluorocarbon Substituents
  作者：Stephen V. Arehart、Coleen Pugh

  DOI：10.1021/ja963687p

  日期：1997.4.1

  contrast to their hydrocarbon analogues which exhibit only nematic mesophases, poly5-[[[2‘,5‘-bis[(4‘‘-(n-(dimethylsiloxyl)alkoxy)benzoyl)oxy]benzyl]oxy]carbonyl]bicyclo[2.2.1]hept-2-ene}s and their low-molar-mass model compounds exhibit smectic C mesophases. Since nematic liquid crystals can be forced into layers by terminating their hydrocarbon substituents not only with fluorocarbon segments but also

  与仅表现出向列中间相的烃类似物相比，聚5-[[[[2',5'-双[(4''-(n-(二甲基甲硅烷氧基)烷氧基)苯甲酰基)氧基]苄基]氧基]羰基]双环[2.2.1]hept-2-ene}及其低摩尔质量模型化合物表现出近晶C中间相。由于向列液晶可以通过不仅用碳氟化合物链段而且用柔性硅氧烷链段终止它们的烃取代基而被迫成层，这支持了这样的假设，即含有线性碳氟化合物链段的两亲分子的近晶介晶主要是由于碳氢化合物的不混溶性和碳氟化合物段，而不是“介晶全氟烷基棒”的形状持久性。2、5-双[(4'-(n-(低聚二甲基甲硅烷氧基)烷氧基)苯甲酰基)氧基]甲苯模拟聚合物形成的相和它们转变的一般温度，因此是聚合物的极好模型。5-[[2',5'-双[(4''-(n-(低聚二甲基甲硅烷氧基)烷氧基)苯甲酰基)氧基]苄基]氧基]...
• 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
  作者：Aaron C. Small、Coleen Pugh

  DOI：10.1021/ma0113430

  日期：2002.3.1

  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.