3,6-di-dodecyloxy-1,4-benzenedicarboxylic acid

• 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: 3,6-di-dodecyloxy-1,4-benzenedicarboxylic acid
• 英文别名: 2,5-(didodecyloxy)terephthalic acid；3,6-di-dodecyloxy-1,4-BDCA；2,5-Didodecoxyterephthalic acid
• 化学式: C₃₂H₅₄O₆
• 分子量: 534.777
• InChiKey: LAKPIXVBUHDUKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  38
• 可旋转键数：
  26
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-amino-2,5-bis(dodecyloxy)phenyl)-2-(((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)acetamide 、 3,6-di-dodecyloxy-1,4-benzenedicarboxylic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 氯仿 为溶剂， 反应 48.0h， 以61%的产率得到1-N,4-N-bis[4-[[2-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]-2,5-didodecoxyphenyl]-2,5-didodecoxybenzene-1,4-dicarboxamide
  参考文献：
  名称：

  Hydrogen bonded arylamide-linked cholesteryl dimesogenic liquid crystals: a study of the length and side chain effects

  摘要：

  Dimesogenic compounds 1a-c, 2a-i, and 3, that are composed of a hydrogen bonding-induced straight arylamide spacer and two appended cholesterol groups, have been designed and synthesized. The backbones of the rigid spacers of 1a-c, 2a-i, and 3 contain one, three, and five benzene units, which bear two, six, and ten alkoxyl (methoxyl, n-octoxyl, or n-dodecoxyl) groups, respectively. The thermal and optical properties of the compounds are investigated by using the differential scanning calorimetry (DSC), polarizing optical microscopy (POM), and powder X-ray diffraction (PXRD) analysis. It is revealed that la c exhibit one or two liquid crystalline (LC) phases, 2a-i exhibit no, one or two LC phases, while 3 exhibits one LC phase in a wide temperature range. Generally, the more and longer alkoxyl chains facilitate the formation of the LC phases at low temperature. Notably, compound 2g, which bears two methoxyl and four dodecoxyl groups, displays a blue-red color change during both the heating and cooling cycle. The result illustrates that dimesogens with large rigid spacers can exhibit different LC phases when long aliphatic chains are appended to balance the strong stacking of the rigid backbones. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.046
• 作为产物：
  描述：

  2,5-二羟基对苯二甲酸乙酯 在 氢氧化钾 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,6-di-dodecyloxy-1,4-benzenedicarboxylic acid
  参考文献：
  名称：

  Supramolecular mesomorphic structures based on 2,5-dialkoxyterephthalicacid derivatives

  摘要：

  2,5-二烷氧基对苯二甲酸（CnOTpA）和2,5-二己基对苯二甲酸（C6TpA）作为双功能氢键供体与双功能受体1,3-二氨丙烷（Dap）、哌嗪（Pip）和4,4'-联吡啶（Bipy）的自组装研究，涵盖了晶体晶格和介相。在化合物CnOTpA与二胺Dap的化学计量混合物中，形成了层状结构的介相，这在我们所知的范围内构成了从2,5-二烷氧基对苯二甲酸和双功能二胺生成介相的首例。使用X射线散射、差示扫描量热法（DSC）和偏振显微镜对这些混合物的液晶特性进行了表征。C6TpA·Bipy和C6TpA·Pip复合物在晶体晶格中的自组装特征使用单晶X射线结构分析进行了表征。在C6TpA·Bipy的晶体晶格中，仅观察到中性酸与碱之间的氢键相互作用。然而，在C6TpA与Pip的共晶体结构中，由于质子从酸基转移到碱的基本氮原子，观察到了离子相互作用。

  DOI：

  10.1039/a705513g

文献信息

• Supramolecular mesomorphic structures based on 2,5-dialkoxyterephthalicacid derivatives
  作者：Christian Meiners、Suresh Valiyaveettil、Volker Enkelmann、Klaus Müllen

  DOI：10.1039/a705513g

  日期：——

  Self-assembly of 2,5-di-n-alkoxyterephthalic acids (CnOTpA) and 2,5-di-n-hexylterephthalic acid (C6TpA) as bifunctional hydrogen bond donors with bifunctional acceptors 1,3-diaminopropane (Dap), piperazine (Pip) and 4,4′-bipyridine (Bipy) has been investigated, both in the crystal lattice and in the mesophase. Stoichiometric mixtures of compounds CnOTpA with diamine Dap form mesophases with a lamellar-type structure and constitute, to the best of our knowledge, the first examples of the generation of mesophases from 2,5-di-n-alkoxyterephthalic acids and bifunctional diamines. The liquid crystalline behaviour of these mixtures was characterized using X-ray scattering, DSC and polarizing microscopy. The self-assembly of complexes C6TpA·Bipy and C6TpA·Pip in the crystal lattice was characterized using single crystal X-ray structural analysis. In the crystal lattice of C6TpA·Bipy, only hydrogen bonding interactions between the neutral acid and the base were observed. However, in the crystal structure of cocrystals of C6TpA with Pip, an ionic interaction was observed due to proton transfer from the acid group to the basic nitrogen atoms of the base.

  2,5-二烷氧基对苯二甲酸（CnOTpA）和2,5-二己基对苯二甲酸（C6TpA）作为双功能氢键供体与双功能受体1,3-二氨丙烷（Dap）、哌嗪（Pip）和4,4'-联吡啶（Bipy）的自组装研究，涵盖了晶体晶格和介相。在化合物CnOTpA与二胺Dap的化学计量混合物中，形成了层状结构的介相，这在我们所知的范围内构成了从2,5-二烷氧基对苯二甲酸和双功能二胺生成介相的首例。使用X射线散射、差示扫描量热法（DSC）和偏振显微镜对这些混合物的液晶特性进行了表征。C6TpA·Bipy和C6TpA·Pip复合物在晶体晶格中的自组装特征使用单晶X射线结构分析进行了表征。在C6TpA·Bipy的晶体晶格中，仅观察到中性酸与碱之间的氢键相互作用。然而，在C6TpA与Pip的共晶体结构中，由于质子从酸基转移到碱的基本氮原子，观察到了离子相互作用。
• Transformation of framework solids into processable metallo-polymers
  作者：Eun-Young Choi、Chunji Gao、Hong-Jun Lee、O-Pil Kwon、Suck-Hyun Lee

  DOI：10.1039/b916092b

  日期：——

  A novel design strategy that extends metal–organic frameworks (MOFs) into tractable metallo-polymers was successfully explored by incorporating a homologous series of alkyl side chains to an organic linker, in which drastic solid to solid transformation is also observed.

  通过将一系列同源烷基侧链与有机连接体结合，成功地探索了一种将金属有机框架（MOF）扩展为易处理金属聚合物的新颖设计策略，其中还观察到了剧烈的固体到固体的转变。
• Thermosetting resin compositions
  申请人：Green George

  公开号：US20070142600A1

  公开（公告）日：2007-06-21

  A resin composition comprising: (i) one or more polymerisable liquid thermoset resin components; (ii) optionally one or more curing agents for said one or more polymerisable liquid resin components; and (iii) at least one gelator, wherein said gelator interacts within said composition to form a gel at ambient temperatures, said gel being thermally reversible such that the gelled composition can undergo a transition from the gelled state to a state of lower viscosity when the composition is treated to facilitate the cure of said polymerisable resin component.

  一种树脂组合物，包括：（i）一种或多种可聚合的液态热固性树脂组分；（ii）可选地，一种或多种用于所述一种或多种可聚合液态树脂组分的固化剂；以及（iii）至少一种凝胶剂，其中所述凝胶剂在所述组合物中相互作用以在常温下形成凝胶，所述凝胶是热可逆的，因此当处理组合物以促进所述可聚合树脂组分的固化时，凝胶化的组合物可以从凝胶状态转变为低粘度状态。
• HYDROLYSIS-RESISTANT ARAMIDS
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0813563A1

  公开（公告）日：1997-12-29
• IMPROVEMENTS IN OR RELATING TO THERMOSETTING RESIN COMPOSITIONS
  申请人：Hexcel Composites Limited

  公开号：EP1603962B1

  公开（公告）日：2009-02-04