5'-(4-(1H-tetrazol-5-yl)benzamido)benzene-1,3-dioic acid | 132640-21-2

• 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: 5'-(4-(1H-tetrazol-5-yl)benzamido)benzene-1,3-dioic acid
• 英文别名: 5′-(4-(1H-tetrazol-5-yl)benzamido)benzene-1,3-dioic acid；N-(3,5-dicarboxy)phenyl-4-(5-tetrazolyl)-benzamide；5-[[4-(2H-tetrazol-5-yl)benzoyl]amino]benzene-1,3-dicarboxylic acid
• CAS: 132640-21-2
• 化学式: C₁₆H₁₁N₅O₅
• 分子量: 353.294
• InChiKey: MZANYOWNSQCYFY-UHFFFAOYSA-N

物化性质

• 密度：
  1.630±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  158
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5'-(4-(1H-tetrazol-5-yl)benzamido)benzene-1,3-dioic acid 、 水 、 cadmium(II) chloride 反应 72.0h， 以47%的产率得到
  参考文献：
  名称：

  用于铁 (III) 传感和亚甲基蓝 (MB) 捕获的四唑基镉 (II) 荧光金属有机框架

  摘要：

  Multifunctional metal‐organic framework (MOF) materials have attracted great attentions due to their promising applications, water stability, however, has turned into a big challenge because of the existence of the weak coordination bonds. Two water stable Cd(II) MOFs, named [Cd3(L)2(H2O)4] (1), [Cd3(L)2(bpy)(H2O)3]·4H2O (2) (L = 5′‐(4‐(1H‐tetrazol‐5‐yl)benzamido)benzene‐1,3‐dioic acid, bpy = 4,4′‐bipyridine), were successfully prepared in this work, which have been compared with our previously reported [Cd2(L)(OH)(H2O)] (3) and [Cd3Mn(L)2(OH)2(H2O)2] (4). Complexes 1, 3 and 4 exhibited 3D structures, while 2 displayed a 2D network. Complexes 1–4 have shown strong water stability due to the existence of the multinuclear clusters instead of single metal centers. Complexes 1–4 have indicated strong luminescence both in the solid state and in the aqueous solution, which could be utilized as the Fe(III) sensor with LOD up to 1.2 × 10–7 m. The Fe(III) quench mechanism could not be interfered by the presence of other metal ions. Moreover, complexes 1–4 could selectively absorb cationic MB dye molecules in the aqueous solution over the anionic MO through the ionic interaction, implying the potential application in the purification of wastewater as the dye absorbents. This work provided a further understanding of the subtle relationships between the structures and the properties, which could benefit for the future design of MOF materials.

  DOI：

  10.1002/ejic.201901001
• 作为产物：
  描述：

  N-(3,5-dicarboxy)phenyl-4-cyanobenzamide 在 sodium azide 、 ammonium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 5'-(4-(1H-tetrazol-5-yl)benzamido)benzene-1,3-dioic acid
  参考文献：
  名称：

  新的N-苯基苯甲酰胺酸衍生物的抗过敏和细胞保护活性。

  摘要：

  合成了一系列新的N-苯基苯甲酰胺酸衍生物，并评估了它们抑制IgE介导的大鼠被动皮肤过敏反应（PCA）的能力，以及它们抑制口服绝对剂量诱导的胃粘膜损伤的能力。大鼠饮酒。这些新衍生物中的一些表现出有效的抗过敏和细胞保护活性，比参考的糖基葡萄糖酸二钠（DSCG）高20-80倍。讨论了构效关系。该系列中更有效的化合物之一，即4-（1H-四唑-5-基）-N- [4-（1H-四唑-5-基）苯基]苯甲酰胺的抗过敏活性（化合物44，CR 2039 ）在体内进行了进一步评估。该化合物拮抗雾化的卵清蛋白在麻醉的和有意识的IgE致敏豚鼠中引起的支气管收缩，ID50为3.7 mg /动物（气管吹入）和20 mg / kg（im）。在空腹动物急性口服高渗氯化钠溶液或乙酸引起的胃溃疡模型中，评估了进一步的细胞保护作用。在实验中使用的模型中，CR 2039是有效的，而DSCG似乎没有任何保护活性。这种有效的抗过敏和粘膜

  DOI：

  10.1021/jm00098a006

文献信息

• Derivatives of N-phenylbenzamide with anti-ulcer and anti-allergy
  申请人：Rotta Research Laboratorium SpA.

  公开号：US05232937A1

  公开（公告）日：1993-08-03

  Derivatives of N-phenylbenzamide with general formula (1) in which R.sub.1 is a cyano, nitro, halogen, hydrozy, C.sub.1 -C.sub.4 alkyl methyl, methoxy or tetrazol-5-yl group, R.sub.2 is hydrogen, hydroxy, or methoxy, R.sub.3 is a tetrazol-5-yl group or hydrogen, R.sub.4 and R.sub.5 are hydrogen if R.sub.3 is tetrazolyl but are independently selected from the group consisting of carboxy, methoxycarbonyl, ethoxycarbonyl and carbamoyl if R.sub.3 is hydrogen, and R.sub.6 is hydrogen or methyl. The derivatives have an anti-ulcer and anti-allergy activity.

  具有一般化学式（1）的N-苯基苯甲酰衍生物，其中R.sub.1为氰基、硝基、卤素、羟基、C.sub.1 -C.sub.4烷基甲基、甲氧基或噻唑-5-基团，R.sub.2为氢、羟基或甲氧基，R.sub.3为噻唑-5-基团或氢，R.sub.4和R.sub.5如果R.sub.3为噻唑基则为氢，但如果R.sub.3为氢，则独立选择自羧基、甲氧羰基、乙氧羰基和氨基的基团，R.sub.6为氢或甲基。这些衍生物具有抗溃疡和抗过敏活性。
• On Demand: The Singular rht Net, an Ideal Blueprint for the Construction of a Metal-Organic Framework (MOF) Platform
  作者：Jarrod F. Eubank、Farid Nouar、Ryan Luebke、Amy J. Cairns、Lukasz Wojtas、Mohamed Alkordi、Till Bousquet、Matthew R. Hight、Juergen Eckert、Jan P. Embs、Peter A. Georgiev、Mohamed Eddaoudi

  DOI：10.1002/anie.201201202

  日期：2012.10.1

  The exceptional nature of the rht‐MOF platform, based on a singular edge‐transitive net (the only net for the combination of 3‐ and 24‐connected nodes), makes it an ideal target in crystal chemistry. The high level of control indicates an unparalleled blueprint for isoreticular functional materials (without concern for interpenetration) for targeted applications.

  的特殊性质的的RHT -MOF平台，基于奇异边传递净（唯一网为3-和24所连接的节点的组合），使得它在晶体化学的理想靶标。高水平的控制表明针对目标应用的等网状功能材料具有无与伦比的设计蓝图（与互穿无关）。
• Enhanced Catalytic Performance for Oxygen Reduction Reaction Derived from Nitrogen-Rich Tetrazolate-Based Heterometallic Metal–Organic Frameworks
  作者：Li-Qian Ji、Jing Yang、Zi-You Zhang、Yong Qian、Zhi Su、Min Han、Hong-Ke Liu

  DOI：10.1021/acs.cgd.9b00190

  日期：2019.5.1

  Efficient non-noble metal catalysts for oxygen reduction reaction (ORR) have been highly attractive for the fabrication of cost-effective fuel cells. Metal–organic frameworks (MOFs) derived heteroatom-doped carbon-based (NC) electrocatalysts have exhibited comparable electrocatalytic activity for ORR as commercial Pt/C catalyst, which were highly dependent on their MOF precursor/template structures

  高效的用于氧气还原反应（ORR）的非贵金属催化剂对于制造经济高效的燃料电池极具吸引力。金属有机骨架（MOF）衍生的杂原子掺杂碳基（NC）电催化剂对ORR表现出与市售Pt / C催化剂相当的电催化活性，这在很大程度上取决于其MOF前体/模板结构。在这项特殊的工作中，已经成功合成了两种NC复合材料NC -1100和[受电子邮件保护] -1100（NC为氮掺杂的碳），它们是从新颖的富含氮的基于四唑酸盐的金属-有机骨架中衍生出来的，[ Cd 2（L）（OH）（H 2 O）] [1）和[Cd 3 Mn（L）2（OH）2（H 2 O）2 ]（2）（L，5'-（4-（1 H-四唑-5-基）（苯甲酰胺基）苯-1 ，3-二酸），分别配合物之间的结构差异1和2从导入的Mn（II）的到复杂的出现2，其中在CD（II）1部分被锰（II代替）。这两种复合物1和2具有三维（3D）结构和一维（1D）开放通道，生成的[电子邮件保护]
• Supramolecular Assemblies and Building Blocks
  申请人：Eddaoudi Mohamed

  公开号：US20090143596A1

  公开（公告）日：2009-06-04

  The present invention generally relates to supramolecular assemblies and their modes of synthesis. The supramolecular assemblies include a 1:8 ratio of a supermolecular polyhedral building block and a triangular molecular building block, the supermolecular polyhedral building block having points of extension corresponding to the vertices of a rhombicuboctahedron for linking the supermolecular polyhedral building block to the triangular building block.

  本发明通常涉及超分子组装体及其合成方式。该超分子组装体包括超分子多面体构建块和三角形分子构建块的1:8比例，超分子多面体构建块具有与菱立方八面体的顶点相对应的延伸点，用于将超分子多面体构建块链接到三角形构建块。
• DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION
  申请人：ROTTA RESEARCH LABORATORIUM S.P.A.

  公开号：EP0460083B1

  公开（公告）日：1994-06-08