4-(benzimidazole-1-yl)benzoic acid | 220495-52-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-(benzimidazole-1-yl)benzoic acid
• 英文别名: 4-benzimidazole-1-yl-benzoic acid；4-benzmidazole-1-yl-benzoic acid；4-(1H-benzimidazol-1-yl)benzoic acid；4-(1H-1,3-benzodiazol-1-yl)benzoic acid；4-(benzimidazol-1-yl)benzoic acid
• CAS: 220495-52-3
• 化学式: C₁₄H₁₀N₂O₂
• mdl: MFCD06655620
• 分子量: 238.246
• InChiKey: LVTAQCOHWAZNAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(pyrrolidino)pyrrolidine dihydrochloride 、 4-(benzimidazole-1-yl)benzoic acid 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 、 盐酸 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 生成 1'-[4-(1H-benzimidazol-1-yl)benzoyl]-1,3'-bipyrrolidine hydrochloride
  参考文献：
  名称：

  WO2008/45371

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(4-甲酰基苯基)-1H-苯并咪唑 在 silver nitrate 、 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 生成 4-(benzimidazole-1-yl)benzoic acid
  参考文献：
  名称：

  由4-（苯并咪唑-1-基）苯甲酸配体构成的 3D手性和2D非手性钴（ii）化合物，表现出场诱导的单离子磁体型慢磁弛豫†

  摘要：

  在配位网络中组织起单离子磁体（SIM）单元作用的磁隔离3d过渡金属离子是一种设计新颖的单分子磁体（SMM）的有前途的方法。在此，基于具有4-（苯并咪唑-1-基）苯甲酸（Hbmzbc）配体即[Co（bmzbc）2（1,2-etdio）的单个金属节点的3D手性和2D非手性钴（II）配位化合物合成了[ ] n（1）（1,2-乙二酮= 1,2-乙二醇）和[Co（bmzbc）2（Hbmzbc）] n（2）并对其进行了结构表征。具有2倍互穿qtz的3D手性结构1通过自发拆分获得了由完全非手性成分组成的拓扑网，而非手性结构2是2D（4,4）网。在这两种结构中，单个钴（II）离子在空间上都被定义明确的网络中的长有机配体很好地隔开。在1和2上进行的磁测量显示，磁场是由单个Co（II）离子的单离子各向异性导致的缓慢的磁弛豫。在1 k和2 kOe静磁场下，根据阿伦尼乌斯定律对动态交流磁化率的分析提供了16.8（3）和31

  DOI：

  10.1039/c6dt00676k

文献信息

• Coordination polymers of various architectures built with mixed imidazole/benzimidazole and carboxylate donor ligands and different metal ions: syntheses, structural features and magnetic properties
  作者：Arshad Aijaz、Prem Lama、E. Carolina Sañudo、Rupali Mishra、Parimal K. Bharadwaj

  DOI：10.1039/c0nj00302f

  日期：——

  diamondoid frameworks respectively. Compound 7 is a layered non-interpenetrating (4,4) grid network whereas 8 has an unprecedented self-penetrating structure with 2D framework. Compound 9 is a self-penetrating 3D structure while 10 crystallizes in a non-interpenetrating (4,4) square-grid with one-dimensional (1D) channels. From these results, it is demonstrated that the structures of the coordination polymers

  十种配位聚合物[Cd（L 1）2 ]} n（1），[Cu（L 1）2 ]} n（2），[Cd 2（L 1）2（HCOO）2（H 2 O） ）]} n（3），[Cd 2（L 1）4 ]·3H 2 O} n（4），[Cd（L 1）（CH 3 COO）]} n（5），[Cd （L 1）2（C 5 H 5 N）]·2.5H 2 O} n（6），[Zn（L 2）2 ]} n（7），[Cd 2（L 2）4 ]·H 2 O} n（8），[Cd 3（L 2）6（H 2 O）]·2EtOH·H 2 O} n（9）和[Cd（L 3）2 ]·2DMF·4H 2 O} n（10），其中HL1 =4-咪唑-1-基苯甲酸，HL 2 =3-咪唑-1-基苯甲酸和HL 3 =4-苯并咪唑-1-基苯甲酸，已在不同的实验条件下合成。它们的结构通过单晶X射线衍射分析确定，并进一步通过红外光谱，热重（TG）和元素分析进行​​表征。1的结构是具有（4
• N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS
  申请人：Solvibile William Ronald

  公开号：US20080119458A1

  公开（公告）日：2008-05-22

  The present invention provides a compound of formula I and the use thereof for the treatment of a central nervous system disorder related to or affected by the histamine-3 receptor: wherein the variables are described in the specification.

  本发明提供了一种I式化合物及其用途，用于治疗与组胺-3受体相关或受其影响的中枢神经系统紊乱：其中变量在说明书中描述。
• N-substituted-azacyclylamines as histamine-3 antagonists
  申请人：Wyeth LLC

  公开号：US07935719B2

  公开（公告）日：2011-05-03

  The present invention provides a compound of formula I and the use thereof for the treatment of a central nervous system disorder related to or affected by the histamine-3 receptor: wherein the variables are described in the specification.

  本发明提供了一种I式化合物及其用于治疗与组胺-3受体相关或受其影响的中枢神经系统疾病的用途：其中变量在规范中描述。
• Field-Induced Slow Magnetic Relaxation and Gas Adsorption Properties of a Bifunctional Cobalt(II) Compound
  作者：Yu-Ling Wang、Lin Chen、Cai-Ming Liu、Yi-Quan Zhang、Shun-Gao Yin、Qing-Yan Liu

  DOI：10.1021/acs.inorgchem.5b02324

  日期：2015.12.7

  A new compound, [Co(bmzbc)(2)]center dot 2DMF}(n) (JXNU-1, JXNU denotes Jiangxi Normal University), based on the 4-(benzimidazole-1-yl)benzoate (bmzbc(-)) ligand has been synthesized and structurally characterized. The Co(II) ions are bridged by the rod-like bmzbc(-) ligands to give a two-dimensional (2D) sheet wherein the Co(II) ions are spatially separated from each other by the long bmzbc- rods. The 2D sheets are further stacked into a 3D framework with ID channels occluding the guest DMF molecules. Detailed magnetic studies show that the individual octahedral Co(II) ions in JXNU-1 exhibit field-induced slow magnetic relaxation, which is characteristic behavior of single-ion magnets (SIMs). The rarely observed positive value of zero-field splitting (ZFS) parameter D for the Co(II) ion in JXNU-1 demonstrates that JXNU-1 is a unique example of Co(II)-based SIMs with easy-plane anisotropy, which is also confirmed by the calculations. The microporous nature of JXNU-1 was established by measuring CO2 sorption isotherms. The abrupt changes observed in the C3H8 and C2H6 adsorption isotherms indicate that a structural transformation occurred in the gas-loading process. The long connection between the magnetic metal centers in JXNU-1 meets the requirements for construction of porosity and SIM in a well-defined network, harmoniously providing a good candidate of functional molecular materials exhibiting SIM and porosity.
• Different dimensional and structural variations in coordination polymers of d10 metal ions constructed from a benzimidazole based carboxylate linker
  作者：Rupali Mishra、Musheer Ahmad、Madhav Ram Tripathi

  DOI：10.1016/j.poly.2012.09.062

  日期：2013.2

  Six new coordination polymers, [Zn(L)(2)]center dot(DMF)center dot(H2O)}(n) (1), [Zn(L)2](n) (2), [Cd-2(L)(4)](n) (3), [Cd(L)(HL) Cl]center dot(H2O)}(n) (4), [Cd(L)(Cl)(DMF)]center dot(DMF)}(n) (5) and [Cd(L)(2)(H2O)(2)](n) (6), where HL = 4-benzimidazole-1-yl-benzoic acid and DMF = N,N'-dimethylformamide, have been synthesized with d(10) metal ions under different hydro/solvothermal conditions. The polymers have been characterized by IR spectroscopy, elemental, thermogravimetric analyses (TGA) and powder X-ray diffraction (PXRD), and their structures have been determined by single-crystal X-ray diffraction analyses. Structural studies reveal that both 1 and 2 are 2D coordination polymers. The structure of 1 shows a 2-fold interpenetrated (4,4) net topology, while that of 2 is composed of infinite carboxylate-bridged Zn(II) chains running along the crystallo-graphic a-axis. When the ligand HL is treated with cadmium nitrate, 3 and 6 are formed under hydrothermal and solvothermal conditions respectively. Compound 3 has a 3D structure having infinite carboxylate-bridged Cd(II) chains while 6 is a 1D coordination polymer. However, when a chloride salt of Cd(II) is used, compounds 4 and 5 are obtained, which contain chloride-bridged Cd(II) dimers which are further bonded to the ligand to form 1D chains. Thus, depending upon the nature of the counter-anion or the reaction conditions, a variety of 1D, 2D and 3D coordination polymers of Zn(II) and Cd(II) are formed. (C) 2012 Elsevier Ltd. All rights reserved.