hexa[4-(carboxyphenyl)oxamethyl]-3-oxapentane

• 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: hexa[4-(carboxyphenyl)oxamethyl]-3-oxapentane
• 英文别名: 4,4'-[[2-[[3-(4-Carboxyphenoxy)-2,2-bis[(4-carboxyphenoxy)methyl]propoxy]methyl]-2-[(4-carboxyphenoxy)methyl]-1,3-propanediyl]bis(oxy)]bis[benzoic acid]；4-[3-(4-carboxyphenoxy)-2-[[3-(4-carboxyphenoxy)-2,2-bis[(4-carboxyphenoxy)methyl]propoxy]methyl]-2-[(4-carboxyphenoxy)methyl]propoxy]benzoic acid
• 化学式: C₅₂H₄₆O₁₉
• 分子量: 974.926
• InChiKey: WGELLMPRCOEWEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  71
• 可旋转键数：
  28
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  288
• 氢给体数：
  6
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 hexa[4-(carboxyphenyl)oxamethyl]-3-oxapentane 以 水 为溶剂， 以56%的产率得到(UO2)3(H2O)2(hexakis[4-(carboxyphenyl)oxamethyl]-3-oxapentane(6-))
  参考文献：
  名称：

  3-Fold-Interpenetrated Uranium–Organic Frameworks: New Strategy for Rationally Constructing Three-Dimensional Uranyl Organic Materials

  摘要：

  The first series of 3-fold-interpenetrated uranium-organic frameworks, UOF-1 and UOF-2, have been synthesized by hydrothermal reactions of flexible semirigid carboxylic acids and uranyl nitrate. Structure analyses indicate that UOF-1 and UOF-2 possess flu and pts topologies, respectively.

  DOI：

  10.1021/ic202577z
• 作为产物：
  描述：

  过氧化氢酶 、 六溴甲苯磺酸双季戊四醇 在 potassium carbonate 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 、 水 、 丙酮 为溶剂， 反应 24.0h， 以70%的产率得到hexa[4-(carboxyphenyl)oxamethyl]-3-oxapentane
  参考文献：
  名称：

  3-Fold-Interpenetrated Uranium–Organic Frameworks: New Strategy for Rationally Constructing Three-Dimensional Uranyl Organic Materials

  摘要：

  The first series of 3-fold-interpenetrated uranium-organic frameworks, UOF-1 and UOF-2, have been synthesized by hydrothermal reactions of flexible semirigid carboxylic acids and uranyl nitrate. Structure analyses indicate that UOF-1 and UOF-2 possess flu and pts topologies, respectively.

  DOI：

  10.1021/ic202577z

文献信息

• Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal–organic frameworks
  作者：Fei-Yan Yi、Weiting Yang、Zhong-Ming Sun

  DOI：10.1039/c2jm35273g

  日期：——

  Solvothermal reaction of Cd2+ ions and a hexavalent carboxylic acid (H6666666L) afforded a Cd(II) metal organic framework (Cd-MOF), namely [Cd3(L)(H2O)2(DMF)2]·5DMF}n (1). Its structure consists of trinuclear CdII building units, which are further bridged by the carboxylic ligand, resulting in a 4,4-connected topological net (sra). By introducing a rigid N-donor ligand 1,4-bis(1-imidazolyl)benzene (dib), a new Cd-MOF (2) [Cd3(L)(dib)]·3H2O·5DMA}n was isolated, in which the coordinated sites of solvent molecules in 1 were completely replaced by dib. The resulting trinuclear Cd3 subunits are further bridged into a two-fold interpenetrating network with DMA and water molecules located in the void space. The luminescent properties of the two microporous Cd-MOFs dispersed in different solvents have been investigated systematically, demonstrating unique selectivity for the detection of acetone via a fluorescence quenching mechanism. Their luminescence intensities decreased to 50% at an acetone content of 0.3 vol% and were almost completely quenched at a concentration of 1.0 vol%, thus, they can be considered as excellent potential luminescent probes for the detection of acetone.

  将Cd2+离子与六价羧酸(H6666666L)进行溶剂热反应，得到了一种Cd(II)金属有机框架(Cd-MOF)，即[Cd3(L)(H2O)2(DMF)2]·5DMF}n (1)。其结构由三核CdII构筑单元组成，这些单元通过羧酸配体进一步桥联，形成4,4-连通的拓扑网络(sra)。通过引入刚性的N供体配体1,4-双(1-咪唑基)苯(dib)，分离得到了一种新的Cd-MOF (2) [Cd3(L)(dib)]·3 ·5DMA}n，其中1中的溶剂分子配位位点被dib完全取代。由此产生的三核Cd3单元进一步被桥联成双重互穿网络，DMA和水分子位于空隙空间中。研究了这两种微孔Cd-MOF在不同溶剂中的发光性能，结果显示出通过荧光淬灭机制实现对丙酮的独特选择性检测。它们的发光强度在丙酮含量为0.3 vol%时降低至50%，在浓度达到1.0 vol%时几乎完全淬灭，因此，它们可以被视为检测丙酮的潜在优秀发光探针。
• Construction of porous Mn(ii)-based metal–organic frameworks by flexible hexacarboxylic acid and rigid coligands
  作者：Fei-Yan Yi、Song Dang、Weiting Yang、Zhong-Ming Sun

  DOI：10.1039/c3ce41406j

  日期：——

  Solvothermal reactions of hexa[4-(carboxyphenyl)oxamethyl]-3-oxapentane (H6L) with rigid coligands, 2,2′-bipyridine (bipy), 1,4-bis-(1-imidazolyl)benzene (dib), and 4,4′-bis(1-imidazolyl)biphenyl (bibp) in the presence of manganese salts produce four porous Mn(II) metal–organic frameworks (Mn–MOFs), namely, Mn3(L)(bipy)2 (1), Mn3(L)(dib) (2), Mn3(L)(dib)(H2O)2 (3), and Mn6(L)2(bibp)1.5(H2O)54. Single crystal X-ray diffraction analyses reveal that 1–4 consist of trinuclear MnII subunits, which are further connected into four interesting nets, 4,4-connected pts net for 1, 4,6-connected fsc net for 2, and two novel nets for 3 and 4, by the synergistic effect of carboxylate groups and functionally complementary N-donor ligands. They exhibit high potential solvent accessible volumes of 35.0%, 33.5%, 45.1%, and 56.5% for 1–4, respectively. Magnetic studies indicate the presence of weak antiferromagnetic interactions between MnII centers in these compounds.

  在锰盐存在下，己[4-(羧苯基)氧甲基]-3-氧戊烷(H6L)与刚性配体2,2'-联吡啶(bipy)、1,4-双(1-咪唑基)苯(dib)和4,4'-双(1-咪唑基)联苯(bibp)的溶剂热反应产生了四种多孔Mn(II)金属-有机框架(Mn-MOFs)，即Mn3(L)(bipy)2(1)、Mn3(L)(dib)(2)、Mn3(L)(dib)(H2O)2(3)和Mn6(L)2(bibp)1.5( )54。单晶X射线衍射分析表明，1-4由三核MnII子单元组成，这些子单元通过羧酸根和功能互补的N供体配体的协同作用，进一步连接成四种有趣的网络，1为4,4-连接的pts网络，2为4,6-连接的fsc网络，3和4为两种新型网络。它们具有高潜溶剂可及体积，分别为1-4的35.0%、33.5%、45.1%和56.5%。磁性研究表明，这些化合物中MnII中心之间存在弱的反铁磁相互作用。
• Chiral transformations of achiral porous metal–organic frameworks via a stepwise approach
  作者：Fei-Yan Yi、Jian Zhang、Hai-Xia Zhang、Zhong-Ming Sun

  DOI：10.1039/c2cc35399g

  日期：——

  A family of chiral porous metal-organic frameworks were synthesized through an unprecedented chiral transformation process only involving achiral components. This method may provide a new point of view to rationally design targeted chiral MOFs and may shed light on the symmetry breaking mechanism.

  通过空前的仅涉及非手性组分的手性转化过程，合成了一系列手性多孔金属-有机骨架。该方法可以为合理设计目标手性MOF提供新的观点，并可以阐明对称性断裂机理。
• A Series of Multifunctional Metal–Organic Frameworks Showing Excellent Luminescent Sensing, Sensitization, and Adsorbent Abilities
  作者：Fei‐Yan Yi、Jian‐Ping Li、Dai Wu、Zhong‐Ming Sun

  DOI：10.1002/chem.201500595

  日期：2015.8.3

  tridentate Y‐shape. This family of multifunctional MOF materials represents a variety of potential applications in the following aspects: first, as luminescent sensors that show a fast and sensitive detection for pollutant CrO42− and Cr2O72− ions in aqueous media; second, as adsorbents that can rapidly remove harmful organic dyes; third, as an antenna that can effectively sensitize visible‐light‐emitting Tb3+

  一系列的高度发光活性的金属-有机骨架（MOF）1 - 3具有分级孔隙已被合理构造和完全表征。预先设计的半刚性六羧酸酯配体六[4-（羧基苯基）氧杂甲基] -3-氧杂戊烷酸（H 6 L）已适应各种空间定向的N供体（即2,2'-联吡啶，4,4'从二齿V形到三齿Y的二（1 H-咪唑-1-基）-1,1'-联苯和1,3,5-三（1 H-咪唑-1-基）苯-形状。该多功能MOF材料系列在以下方面具有多种潜在应用：首先，作为发光传感器，可对污染物CrO 4 2-进行快速灵敏的检测和Cr 2 O 7 2-在水性介质中的离子；第二，作为可以迅速去除有害有机染料的吸附剂；第三，作为可以有效地激发可见光发射Tb 3+离子的天线。这些多功能MOF材料兼具光敏，吸附和敏化特性，因此在许多潜在应用中非常有用。此外，这些材料已被证明是可重复使用的。
• Series of Luminescent Lanthanide MOFs with Regular SHG Performance
  作者：Yating Wan、Jie Wang、Hua Shu、Benyuan Cheng、Zhiyu He、Peipei Wang、Tifeng Xia

  DOI：10.1021/acs.inorgchem.1c00502

  日期：2021.5.17

  generation (SHG) is a kind of nonlinear optical phenomenon which has been widely used in optical devices, and factors influencing its signal are very complex. Here, taking advantage of excellent structural designability and overcoming the limitations of various coordinations of lanthanide metals, for the first time a series of lanthanide metal–organic frameworks (Ln-MOFs) with one particular ligand were

  二次谐波（SHG）是一种非线性光学现象，已广泛应用于光学设备中，影响其信号的因素非常复杂。在这里，利用出色的结构设计能力并克服了镧系元素金属的各种配位的局限性，首次合成了一系列具有特定配体的镧系元素金属-有机骨架（Ln-MOFs），并对其结构进行了表征，以研究镧系元素的干扰。 SHG信号。收集并分析了包括单光子荧光和SHG在内的光学性能。结果发现，全部13种Ln-MOFs可以通过其各自的空间群划分为两种晶体结构，金属原子配位的从La到Tb的Ln-MOFs具有非中心对称的碳原子。2个空间群表现出SHG特性，其强度取决于金属原子的类型，泵浦波长和单晶颗粒的大小。这是首次系统地研究非线性光学性质与整个Ln-MOFs系列的结构，金属原子，泵浦波长，晶体尺寸之间的关系，提供了许多有趣的结果并丰富了非线性研究的范围。光学和材料科学。