4-(5-carboxypentyloxy)benzoic acid | 35005-22-2

• 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-(5-carboxypentyloxy)benzoic acid
• 英文别名: 4-(5-Carboxypentoxy)benzoic acid
• CAS: 35005-22-2
• 化学式: C₁₃H₁₆O₅
• 分子量: 252.267
• InChiKey: SWQQRBGXPXXUHF-UHFFFAOYSA-N

物化性质

• 沸点：
  472.1±25.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(5-carboxypentyloxy)benzoic acid 、 4'-hydroxy-biphenyl-4-carboxylic acid (R)-1-methyl-heptyl ester 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以51%的产率得到[4'-((R)-1-methylheptyloxycarbonyl)-1,1'-biphenyl-4-yl] 4''''-[5-[{4''-((R)-1-methylheptyloxycarbonyl)-1'',1'''-biphenyl-4'''-yl}oxycarbonyl]pentyloxy]benzoate
  参考文献：
  名称：

  Novel non-symmetric chiral twin liquid crystals possessing two identical chiral moieties at both peripheral ends: highly chirality-sensitive phases appeared between smectic and isotropic liquid phases

  摘要：

  提出了一种制备非对称手性孪晶液晶的新策略，即把两个相同的手性分子设计在外围两端，通过非对称的中心连接结构引入非对称特性。因此，光学活性手性非对称孪晶同系物[4′-（1-甲基庚氧羰基）-1,1′-联苯-4-基] 4″″-[ω-[{4″-(1- 甲基庚氧羰基)-1″、1″′-联苯-4″′-基}氧羰基]烷氧基]苯甲酸酯，发现它们呈现出反铁电性、铁电性和铁电性。此外，在铁电相和各向同性液相之间还观察到另外两种相。在偏振光显微镜下，低温相在均匀排列和假各向同性排列的薄样品中均呈光学各向同性，而高温相则呈现马赛克纹理。这两种反常相都具有层状结构，层间距小于平滑相。这些相的稳定性对光学活性相当敏感。随着光学纯度的降低，这些相消失了，但却观察到了扭曲晶界相。(S,S)- 和 (R,R)- 异构体的 1 ∶ 1 混合物只显示出光滑 A 相，而不是这些异常相。

  DOI：

  10.1039/b201061e
• 作为产物：
  描述：

  过氧化氢酶 、 6-溴己酰氯 在 potassium carbonate 、 potassium iodide 、 乙醇 、 potassium hydroxide 、 盐酸 作用下， 以 N,N-二甲基甲酰胺 、 乙醇 、 水 为溶剂， 反应 13.0h， 生成 4-(5-carboxypentyloxy)benzoic acid
  参考文献：
  名称：

  Liquid crystal compositions, polymer networks derived therefrom and process for making the same

  摘要：

  该发明涉及公式（I）的化合物。该发明还涉及包含公式（I）化合物的液晶组合物；进一步包含一种或多种手性化合物的组合物；以及由液晶组合物的聚合物化得到的聚合物网络。另一种实施方式涉及提供公式（I）化合物的方法。

  公开号：

  US08344175B2

文献信息

• Liquid crystal compositions and polymer networks derived therefrom
  申请人：Goldfinger B. Marc

  公开号：US20070267599A1

  公开（公告）日：2007-11-22

  The invention relates to compounds of formula (I): wherein R 1 and R 2 are each independently selected from the group: H, F, Cl and CH 3 ; n1 and n2 are each independently integers 3 to 20; q and r are each independently integers 0, 1 or 2, with the proviso that q+r is ≧1; D is a divalent chiral radical selected from the group: wherein R 3 is a C1 to C6 straight or branched chain alkyl group; and each B 1 and B 2 is a divalent radical independently selected from the group: R 4 -substituted-1,4-phenyl, wherein R 4 is H, —CH 3 or —OCH 3 ; 2,6-naphthyl; and 4,4′-biphenyl; with the provisos that when q+r=3, at least one of B 1 and B 2 is R 4 -substituted-1,4-phenyl; and when q+r=4, at least two of B 1 and B 2 are R 4 -substituted-1,4-phenyl. The invention further relates to liquid crystal compositions comprising compounds of formula (I) and polymer networks derived from the polymerization of the liquid crystal compositions.

  本发明涉及化合物的公式(I)：其中，R1和R2各自独立地选自组：H、F、Cl和CH3；n1和n2各自独立地为整数3至20；q和r各自独立地为整数0、1或2，但须满足q+r≧1；D是从组中选择的二价手性基团：其中，R3是C1至C6直链或支链烷基；每个B1和B2是从组中独立选择的二价基团：R4-取代-1,4-苯基，其中R4为H、—CH3或—OCH3；2,6-萘基；和4,4'-联苯基；但须满足当q+r=3时，至少一个B1和B2是R4-取代-1,4-苯基；当q+r=4时，至少两个B1和B2是R4-取代-1,4-苯基。本发明还涉及包含公式(I)化合物的液晶组合物和由液晶组合物聚合得到的聚合物网络。
• CHIRAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS AND POLYMER NETWORKS DERIVED THEREFROM
  申请人：GOLDFINGER Marc B.

  公开号：US20110163267A1

  公开（公告）日：2011-07-07

  The invention relates to compounds of formula (I): wherein R 1 and R 2 are each independently selected from the group: H, F, Cl and CH 3 ; n1 and n2 are each independently integers 3 to 20; q and r are each independently integers 0, 1 or 2, with the proviso that q+r is ≧1; D is a divalent chiral radical selected from the group: wherein R 3 is a C1 to C6 straight or branched chain alkyl group; and each B 1 and B 2 is a divalent radical independently selected from the group: R 4 -substituted-1,4-phenyl, wherein R 4 is H, —CH 3 or —OCH 3 ; 2,6-naphthyl; and 4,4′-biphenyl; with the provisos that when q+r=3, at least one of B 1 and B 2 is R 4 -substituted-1,4-phenyl; and when q+r=4, at least two of B 1 and B 2 are R 4 -substituted-1,4-phenyl. The invention further relates to liquid crystal compositions comprising compounds of formula (I) and polymer networks derived from the polymerization of the liquid crystal compositions.

  本发明涉及式（I）的化合物：其中R1和R2各自独立地选自以下组：H，F，Cl和CH3; n1和n2各自独立地为3至20的整数; q和r各自独立地为0、1或2的整数，但需满足q+r≧1; D是选自以下组的二价手性基团：其中R3是C1至C6的直链或支链烷基; 每个B1和B2是独立地选自以下组的二价基团：R4-取代-1,4-苯基，其中R4是H，—CH3或—OCH3; 2,6-萘基; 和4,4'-联苯基; 但需满足当q+r=3时，至少有一个B1和B2是R4-取代-1,4-苯基; 当q+r=4时，至少有两个B1和B2是R4-取代-1,4-苯基。本发明还涉及包含式（I）的液晶组分和由液晶组分的聚合物网络衍生的聚合物网络。
• LIQUID CRYSTAL COMPOSITIONS, POLYMER NETWORKS DERIVED THEREFROM AND PROCESS FOR MAKING THE SAME
  申请人：GOLDFINGER MARC B.

  公开号：US20110114885A1

  公开（公告）日：2011-05-19

  The invention relates to compounds of Formula (I): The invention further relates to liquid crystal compositions comprising compounds of Formula (I); compositions further comprising one or more chiral compounds; and polymer networks derived from the polymerization of the liquid crystal compositions. Another embodiment relates to processes for providing compounds of Formula (I).

  本发明涉及公式（I）的化合物。本发明还涉及包括公式（I）化合物的液晶组合物；进一步包括一个或多个手性化合物的组合物；以及由液晶组合物的聚合所得的聚合物网络。另一个实施例涉及提供公式（I）化合物的过程。
• Impact resistant polymeric compositions
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0211467A2

  公开（公告）日：1987-02-25

  Impact resistant polymeric composition comprising a polyamide or a polyester and a thermally stable modified selectively hydrogenated high 1,2-content block copolymer wherein at least one acid compound is grafted to the block copolymer at a secondary or tertiary carbon position.

  抗冲击聚合物组合物，包括聚酰胺或聚酯和热稳定改性选择性氢化高 1,2 含量嵌段共聚物，其中至少有一种酸化合物在二级或三级碳位置接枝到嵌段共聚物上。
• Novel polyanhydrides
  申请人：HOECHST CELANESE CORPORATION

  公开号：EP0343889A2

  公开（公告）日：1989-11-29

  There are provided novel homopolyanhdyrides of carboxyaryloxyalkanoic acids, e.g. p-carboxyphenoxyacetic acid or 6-(p-carboxyphenoxy)hexanoic acid, capable of being formed into shaped articles. The homopolyanhydrides may be prepared by heating under reflux a solution of the acid monomer in acetic anhydride to form a mixed anhydride of the acid monomer and acetic acid and melt polycondensing the prepolymer by heating it under vacuum in an inert atmosphere. Due to their property of hydrolytic cleavage at predictable rates, the homopolyanhydrides are suitable as polymer matrices providing for the controlled release of an agent such as a drug.

  本发明提供了新型的羧基芳氧基烷酸均聚氰基酸酐，例如对羧基苯氧基乙酸或 6-(对羧基苯氧基)己酸，可制成成型物品。均聚酸酐的制备方法是：在回流条件下加热酸单体在乙酸酐中的溶液，形成酸单体和乙酸的混合酸酐，然后在惰性气氛中真空加热预聚物，使其熔融缩聚。由于均聚酸酐具有以可预测的速度水解裂解的特性，因此适合用作聚合物基质，用于控制药物等制剂的释放。