5-((3,5-二羧基苄基)氧基)间苯二甲酸 | 156750-08-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 5-((3,5-二羧基苄基)氧基)间苯二甲酸
• 英文名称: 5-(3,5-dicarboxybenzyloxy)isophthalic acid
• 英文别名: 5-((3,5-Dicarboxybenzyl)oxy)isophthalic acid；5-[(3,5-dicarboxyphenoxy)methyl]benzene-1,3-dicarboxylic acid
• CAS: 156750-08-2
• 化学式: C₁₇H₁₂O₉
• 分子量: 360.277
• InChiKey: FIMMKUGFXNAMQH-UHFFFAOYSA-N

物化性质

• 沸点：
  755.8±60.0 °C(Predicted)
• 密度：
  1.606±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  158
• 氢给体数：
  4
• 氢受体数：
  9

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  5-((3,5-二羧基苄基)氧基)间苯二甲酸 在 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 生成
  参考文献：
  名称：

  Dioxygen Binding in Iron and Cobalt Picnic Basket Porphyrins

  摘要：

  The synthesis and characterization of a series of iron and cobalt ''picnic basket'' porphyrins are described. Dioxygen binding to iron and cobalt picnic basket porphyrins has been studied by H-1 NMR and oxygen affinity measurements. These iron and cobalt picnic basket porphyrins bind dioxygen reversibly at room temperature with high affinities. The oxygen affinity increases as the basket size decreases. This effect indicates that a dipole-dipole interaction between the terminally bound dioxygen and the amide protons may play a role in the stability of the oxygen adducts. H-1 NMR spectroscopy does not support the existence of a strong H-bond in these picnic basket porphyrins. Oxygen affinities of the cobalt picnic basket porphyrins are more sensitive to the change of basket sizes than are the corresponding iron porphyrins. This result is consistent with the idea that the (CoO2)-O-II adducts have more electron density on the oxygen ligand than do the (FeO2)-O-II adducts.

  DOI：

  10.1021/ja00093a026
• 作为产物：
  描述：

  diethyl 5-methylisophthalate 在 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 、 potassium carbonate 作用下， 以 四氯化碳 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 5-((3,5-二羧基苄基)氧基)间苯二甲酸
  参考文献：
  名称：

  Dioxygen Binding in Iron and Cobalt Picnic Basket Porphyrins

  摘要：

  The synthesis and characterization of a series of iron and cobalt ''picnic basket'' porphyrins are described. Dioxygen binding to iron and cobalt picnic basket porphyrins has been studied by H-1 NMR and oxygen affinity measurements. These iron and cobalt picnic basket porphyrins bind dioxygen reversibly at room temperature with high affinities. The oxygen affinity increases as the basket size decreases. This effect indicates that a dipole-dipole interaction between the terminally bound dioxygen and the amide protons may play a role in the stability of the oxygen adducts. H-1 NMR spectroscopy does not support the existence of a strong H-bond in these picnic basket porphyrins. Oxygen affinities of the cobalt picnic basket porphyrins are more sensitive to the change of basket sizes than are the corresponding iron porphyrins. This result is consistent with the idea that the (CoO2)-O-II adducts have more electron density on the oxygen ligand than do the (FeO2)-O-II adducts.

  DOI：

  10.1021/ja00093a026

文献信息

• Four coordination polymers based on 5-(3,5-dicarboxybenzyloxy) isophthalic acid: Synthesis, structures, photocatalytic properties, fluorescence sensing and magnetic properties
  作者：Ji-Jiang Wang、Lao-Bang Wang、Zhuang Cao、Er-Lin Yue、Long Tang、Xiao Wang、Xiang-Yang Hou、Yu-Qi Zhang

  DOI：10.1016/j.jssc.2021.122379

  日期：2021.10

  Four coordination polymers named [Co(L)0.5(bib)]n (1), Zn(H2L)(bib)]·2H2O}n (2), Cd(L)0.5(1,2-bimb)]n (3) and Zn(L)0.5(bib)]n (4) (H4L ​= ​5-(3,5-dicarboxybenzyloxy) isophthalic acid, bib ​= ​1,4-bis(1-imidazolyl)benzene, and 1,2-bimb ​= ​1,2-bis(1-imidazolylmethyl)benzene) were synthesized by solvothermal method and structurally characterized by means of single-crystal X-ray diffraction, infrared

  四种配位聚合物 [Co(L) 0.5 (bib)] n (1) , Zn(H 2 L)(bib)]·2H 2 O} n (2) , Cd(L) 0.5 (1,2-bimb )] n (3)和 Zn(L) 0.5 (bib)] n (4) (H 4 L = 5-(3,5-dicarboxybenzyloxy) 间苯二甲酸，bib = 1,4-bis(1) -咪唑基)苯和1,2-bimb = 1,2-双(1-咪唑基甲基)苯)采用溶剂热法合成，并通过单晶X射线衍射、红外光谱和元素分析进行​​结构表征. 配合物1在正交空间群Pbcn 中结晶有一个 2-fold 相互渗透的框架。复合体2显示了一个 4 重的相互渗透的框架。复杂3提出了3倍互穿框架，结晶三斜晶系中P 1间隔基。复合物4是一个三维 (3D) 多孔框架。值得注意的是，复合物的光催化降解实验1 - 4上的亚甲基蓝（MB）表明，这些配合物1 -
• Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal–organic framework materials
  作者：Ming-Li Ma、Can Ji、Shuang-Quan Zang

  DOI：10.1039/c3dt50315a

  日期：——

  A series of novel lanthanide metal–organic frameworks, namely, [Ln2(L)2]·(H2O)3·(Me2NH2)2}n (Ln = La (1), Ce (2), Pr (3), Nd (4), Sm (5), Eu (6), Gd (7), Tb (8), Ho (9), Er (10)), have been synthesized with hydro(solvo)thermal conditions based on a flexible multicarboxylic acid (H4L = 5-(3,5-dicarboxybenzyloxy)isophthalic acid). Single crystal X-ray diffraction reveals that all of them are isomorphous and possess a (6,6) topological net with a Schläfli symbol of 48·67}. Considering the blue-emission of compound 1 and the intense emission of the Eu and Tb compounds, we successfully construct isostructural Eu3+ doped Tb compounds whose color can be tuned easily by adjusting the different concentration of the doped ions, and we also obtained white light emitting materials through the doping of Eu and Tb ions in the La compounds.

  一系列新型镧系元素金属有机框架，即[Ln2(L)2]Â-(H2O)3Â-(Me2NH2)2}n (Ln = La (1)、Ce (2)、Pr (3)、Nd (4)、Sm (5)、Eu (6)、Gd (7)、Tb (8)、H4L = 5-（3,5-二羧基苄氧基）间苯二甲酸）的基础上，通过氢（溶）热条件合成了这些化合物。单晶 X 射线衍射显示，所有这些化合物都是同构的，并具有 (6,6) 拓扑网，其 Schl¤fli 符号为 48Â-67}。考虑到化合物1的蓝色发射以及Eu和Tb化合物的强烈发射，我们成功地构建了等结构的掺杂Eu3+的Tb化合物，通过调节掺杂离子的不同浓度，可以很容易地调整其颜色，我们还通过在La化合物中掺杂Eu和Tb离子获得了白光发光材料。
• A new Ni(II)-based coordination polymer: structural characterization and protective effect on type 2 diabetes by regulating PKC and MAPK expression
  作者：Qin Li、Xiuzhen Shi、Qiong Luo、Aili Guo、Yijing Guo

  DOI：10.1080/24701556.2019.1695837

  日期：2020.3.3

  Abstract In this work, a new Ni(II)-based coordination polymer (CP) with the chemical formula of [(Ni)2(L1)(L2)(H2O)2](DMF)2}n (1, H4L1 = 5-((3,5-dicarboxybenzyl)oxy)isophthalic acid, L2 = 2,4,6-tri(pyridin-4-yl)-1,3,5-triazine) has been successfully prepared by reaction of Ni(NO3)2·6H2O with the 5-((3,5-dicarboxybenzyl)oxy)isophthalic acid and tri(pyridin-4-yl)-1,3,5-triazine in a mixed solvent of

  摘要 在这项工作中，一种新型 Ni(II) 基配位聚合物 (CP) 的化学式为 [(Ni)2(L1)(L2)(H2O)2](DMF)2}n (1, H4L1与Ni( NO3)2·6H2O与5-((3,5-二羧基苄基)氧基)间苯二甲酸和三(吡啶-4-基)-1,3,5-三嗪在DMF和水的混合溶剂中。此外，采用回流法制备了纳米级复合物1，扫描电子显微镜证实纳米级颗粒及其均匀分布。在生物功能部分，评价纳米1对2型糖尿病的治疗活性。首先用nano 1处理肝细胞HepG2，RT-PCR检测pck和mapk的相对表达。然后，
• Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties
  作者：Zu-Jin Lin、Li-Wei Han、Dong-Shuang Wu、Yuan-Biao Huang、Rong Cao

  DOI：10.1021/cg301405r

  日期：2013.1.2

  Based on a semirigid tetracarboxylate ligand 5-(3,5-dicarboxybenzyloxy)isophthalic acid (H4DBIP), 11 coordination polymers formulated as [M2DBIP(H2O)4(μ2-H2O)]·6H2O [M = Mg (1), Co (2)], [Cd3(DBIP)2]·(Me2NH2)2·(H2O)3 (3), [Cd2DBIP(H2O)2DMA]·5DMA·5H2O (4), (InDBIP)·(Me2NH2)·3DMA·2H2O (5), and (LnDBIP)·(Me2NH2)·(H2O)2 [Ln = Eu (6), Gd (7), Tb (8), Dy (9), Ho (10), and Yb (11)] (Me2NH2+ = dimethylammonium

  基于半刚性配体四羧酸5-（3,5- dicarboxybenzyloxy）间苯二甲酸（H 4 DBIP），11种配制为[M配位聚合物2 DBIP（H 2 O）4（μ 2 -H 2 O）]·6H 2 O [M = Mg（1），Co（2）]，[Cd 3（DBIP）2 ]·（Me 2 NH 2）2 ·（H 2 O）3（3），[Cd 2 DBIP（H 2 O） ）2 DMA]·5DMA·5H 2 O（4），（InDBIP）·（Me2 NH 2）·3DMA·2H 2 O（5）和（LnDBIP）·（Me 2 NH 2）·（H 2 O）2 [Ln = Eu（6），Gd（7），Tb（8）， Dy（9），Ho（10）和Yb（11）]（Me 2 NH 2 + =二甲基铵阳离子； DMA = N，N-二甲基乙酰胺）是在溶剂热条件下合成的，并通过单晶X射线结构表征，热重和光致发光研究。化合物1 - 2是同构的，具
• Design and Synthesis of Two Porous Metal–Organic Frameworks with <i>nbo</i> and <i>agw</i> Topologies Showing High CO₂ Adsorption Capacity
  作者：Zhiqiang Liang、Jingjing Du、Libo Sun、Jin Xu、Ying Mu、Yi Li、Jihong Yu、Ruren Xu

  DOI：10.1021/ic4017189

  日期：2013.10.7

  Two novel porous copper-based metal–organic frameworks with nbo and agw topologies have been designed and synthesized using tetracarboxylate and tricarboxylate ligands, respectively. They possess large surface areas and high CO2 adsorption capacities (up to 170 cm3/g or 7.59 mmol/g at 0 °C under ambient pressure).

  分别使用四羧酸盐和三羧酸盐配体设计并合成了两种具有nbo和agw拓扑结构的新颖的多孔铜基金属有机骨架。它们具有大的表面积和高的CO 2吸附能力（在环境压力下，0°C时可达170 cm 3 / g或7.59 mmol / g）。