4,4',4''-[1,3,5-benzenetriyltris(carbonylimino)]trisbenzoic acid | 120360-51-2

• 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: 4,4',4''-[1,3,5-benzenetriyltris(carbonylimino)]trisbenzoic acid
• 英文别名: 4,4',4''-((benzene-1,3,5-tricarbonyl)tris(azanediyl))tribenzoic acid；4,4',4"-((benzene-1,3,5-tricarbonyl)tris(azanediyl))tribenzoic acid；Benzoic acid, 4,4',4''-[1,3,5-benzenetriyltris(carbonylimino)]tris-；4-[[3,5-bis[(4-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
• CAS: 120360-51-2
• 化学式: C₃₀H₂₁N₃O₉
• 分子量: 567.511
• InChiKey: GMWRYUDJCZXIDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  199
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4,4',4''-[1,3,5-benzenetriyltris(carbonylimino)]trisbenzoic acid 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 benzene-1,3,5-tricarboxylic acid tris-(4-carboxybenzene)amide sodium salt
  参考文献：
  名称：

  超分子生色团的形成：光谱学和理论研究†

  摘要：

  描述了特定的1,3,5-苯三酰胺基低分子量水凝胶剂自组装的光谱学和理论研究。该三酰胺对pH敏感，并且令人惊讶地形成了光致发光的超分子水凝胶。结合可控的凝胶形成和发光特性，可以详细研究自组装过程。实验结果通过密度泛函理论（DFT）计算得到证实，表明光致发光源自超分子生色团的形成。

  DOI：

  10.1039/c1sm06789c
• 作为产物：
  描述：

  4,4',4''-[1,3,5-benzenetriyltris(carbonylimino)]trisbenzoic acid methyl ester 在 水 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以67.3%的产率得到4,4',4''-[1,3,5-benzenetriyltris(carbonylimino)]trisbenzoic acid
  参考文献：
  名称：

  Structure diversity of a series of new coordination polymers based on a C3-symmetric tridentate ligand with rosette architecture

  摘要：

  4,4',4 ''-[1,3,5-Benzenetriyltris(carbonylimino)]trisbenzoic acid (H3L). a C-3-symmetric ligand, was found to self-assemble into an interesting core-rosette structure driven by intermolecular hydrogen-bonding interactions. Reactions of this ligand with Zn2+, Co2+ and Cd2+ under solvothermal conditions resulted in the formation of four new coordination polymers with interesting structural motifs: [Zn-2(L)(OH)(H2O)(DMF)]center dot DMF center dot H2O (1), [Co-3(L)(2)(DMF)(H2O)]center dot DMF center dot 3CH(3)OH (2), [Co-1.5(L)(H2O)(DMF)]center dot DMF (3), and [Cd-1.5(L)(H2O)(DMF)]center dot DMF (4). Single-crystal structural analysis revealed that complex 1 exhibits a rare example of twofold interpenetrating two-dimensional CdI2-type structure with tetranuclear Zn-4(mu(3)-OH)(2)(COO)(6)(H2O)(DMF) serving as secondary building unit (SBU), whereas in 2, the mu(3)-oxo-tricobalt basic carboxylate SBUs are connected by L3- ligands, leading to a twofold interpenetrating three-dimensional (3,6)-net framework. The isomorphous complexes 3 and 4 each has a (4,4)-grid layered architecture in which the SBU is a linear Co-3/Cd-3 cluster. The four coordination polymers were all further characterized by IR, thennogravimetric and powder X-ray diffraction (PXRD). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.11.010

文献信息

• Proline Functionalization of the Mesoporous Metal−Organic Framework DUT-32
  作者：Christel Kutzscher、Herbert C. Hoffmann、Simon Krause、Ulrich Stoeck、Irena Senkovska、Eike Brunner、Stefan Kaskel

  DOI：10.1021/ic502380q

  日期：2015.2.2

  framework (MOF). When 4,4′-biphenyldicarboxylic acid was replaced with a Boc-protected proline-functionalized linker (H2L) in the synthesis of DUT-32 (DUT = Dresden University of Technology), a highly porous enantiomerically pure MOF (DUT-32-NHProBoc) was obtained, as could be confirmed by enantioselective high-performance liquid chromatography (HPLC) measurements and solid-state NMR experiments. Isotope

  应用了连接子功能化策略，将脯氨酸部分掺入金属-有机框架（MOF）中。在DUT-32（DUT =德累斯顿工业大学）的合成中，当4,4'-联苯二甲酸被Boc保护的脯氨酸官能化的连接基（H 2 L）取代时，高度多孔的对映体纯MOF（DUT-32获得了-NHProBoc），这可以通过对映选择性高效液相色谱（HPLC）测量和固态NMR实验来证实。手性侧基脯氨酸的同位素标记可实现高灵敏度的一维和二维固态13 C NMR实验。对于装有（S）-1-苯基-2,2,2-三氟乙醇[[ S）-TFPE]，脯氨酸基团的迁移率比（R）-TFPE的样品低。这表明移位剂（S）-TFPE与手性部分的优选相互作用。该化合物的高孔隙率表现为肉桂酸乙酯的极高吸附能力。但是，MOF中Boc-脯氨酸的合成后热脱保护导致手性中心的外消旋化，这已通过立体选择性HPLC实验和醛醇加成的不对称催化得到了证实。
• A new metal–organic framework with ultra-high surface area
  作者：Ronny Grünker、Volodymyr Bon、Philipp Müller、Ulrich Stoeck、Simon Krause、Uwe Mueller、Irena Senkovska、Stefan Kaskel

  DOI：10.1039/c4cc00113c

  日期：——

  A new mesoporous MOF, Zn4O(bpdc)(btctb)4/3 (DUT-32), containing linear ditopic (bpdc2−; 4,4′-biphenylenedicarboxylic acid) and tritopic (btctb3−; 4,4′,4′′-[benzene-1,3,5-triyltris(carbonylimino)]tris-benzoate) linkers, was synthesised. The highly porous solid has a total pore volume of 3.16 cm3 g−1 and a specific BET surface area of 6411 m2 g−1, adding this compound to the top ten porous materials with the highest BET surface area.

  一种新型介孔金属有机框架材料Zn4O(bpdc)(btctb)4/3（DUT-32）被合成，该材料包含线性二齿配体（bpdc2−；4,4′-联苯二羧酸）和三齿配体（btctb3−；4,4′,4′′-[苯-1,3,5-三基三(羰基亚氨基)]三苯甲酸盐）。这种高度多孔的固体具有3.16 cm3 g−1的总孔体积和6411 m2 g−1的比表面积（BET），使得这种化合物跻身于比表面积最高的十大多孔材料之列。
• Thermoplastic polymer composition
  申请人：MILLIKEN & COMPANY

  公开号：US09200142B2

  公开（公告）日：2015-12-01

  The invention provides a compound conforming to the structure of Formula (C) The invention also provides a thermoplastic polymer composition comprising a polyolefin polymer and a compound conforming to the structure of Formula (C) as a nucleating agent.

  这项发明提供了符合化学式（C）结构的化合物。 该发明还提供了一种热塑性聚合物组合物，包括聚烯烃聚合物和作为成核剂的符合化学式（C）结构的化合物。
• [EN] THERMOPLASTIC POLYMER COMPOSITION<br/>[FR] COMPOSITION DE POLYMÈRE THERMOPLASTIQUE
  申请人：MILLIKEN & CO

  公开号：WO2015042561A1

  公开（公告）日：2015-03-26

  The invention provides a thermoplastic polymer composition comprising a polyolefin polymer and a nucleating agent. The nucleating agent comprises a compound conforming to the structure of Formula (I). The invention also provides a series of compounds encompassed by the structure of Formula (I).

  这项发明提供了一种热塑性聚合物组合物，包括聚烯烃聚合物和成核剂。该成核剂包括符合式(I)结构的化合物。该发明还提供了一系列符合式(I)结构的化合物。
• Third-Order Nonlinear Optical Behavior of an Amide-Tricarboxylate Zinc(II) Metal–Organic Framework with Two-Fold 3D+3D Interpenetration
  作者：Reza Abazari、Elnaz Yazdani、Marzieh Nadafan、Alexander M. Kirillov、Junkuo Gao、Alexandra M. Z. Slawin、Cameron L. Carpenter-Warren

  DOI：10.1021/acs.inorgchem.1c00997

  日期：2021.7.5

  study a nonlinear optical (NLO) behavior of ZSTU-10. The nonlinear responses of ZSTU-10 were explored under various laser intensities, revealing notable third-order NLO properties in the visible region. A large two-photon absorption at lower incident intensities highlights the fact that ZSTU-10 can be applied in optical limiting devices as well as optical modulators. Moreover, a nonlinear refractive

  一种新的金属有机骨架 (MOF)，[Zn 4 (μ 4 -O)(μ 6 -L) 2 (H 2 O) 2 ] n · n DMF (ZSTU-10)，由锌 (II) 组装而成硝酸盐和ñ，ñ '，ñ “ -双（4-羧酸甲酯）trimesicamide接头和完全表征。其晶体结构揭示了一种复杂的双层 3D+3D 互穿 MOF，由基于 [Zn 4 (μ 4 -O)] 的四方二级结构单元和 C3 对称三酰胺-三羧酸酯接头 (μ 6 -L 3 ——）。ZSTU-10 的拓扑分析揭示了两个具有rtl（金红石）拓扑结构的相互渗透的 3,6 连接网络。进行 532 nm 的Z扫描分析以研究 ZSTU-10 的非线性光学 (NLO) 行为。在各种激光强度下探索了 ZSTU-10 的非线性响应，揭示了可见光区域显着的三阶非线性光学特性。较低入射强度下的大双光子吸收突出了 ZSTU-10 可应用于光限幅装置和光调制器的事实。此外，非线性折射率(