Tag: 100-200

In 2018,Semwal, Shrivats; Kumar, Abhishek; Choudhury, Joyanta published 《Iridium-NHC-based catalyst for ambient pressure storage and low temperature release of H2via the CO2/HCO2H couple》.Catalysis Science & Technology published the findings.Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

A hybrid N-heterocyclic carbene (NHC) ligand-based iridium catalyst system has been demonstrated in ambient-pressure CO2-hydrogenation and low-temperature HCO2H-dehydrogenation processes. High catalytic activity with TOF values of up to 58 h-1 at 30 °C and 1 atm pressure for hydrogenation and up to 100 000 h-1 at 90 °C for dehydrogenation has been achieved with this promising catalyst. The newly-introduced strategy of using an imidazolylidene-based strongly sigma-donating abnormal NHC ligand partnering with a proton-responsive ligand framework within the catalyst suggested a key guideline in this chem. involving dual activity toward chem. hydrogen storage/delivery processes. In the experimental materials used by the author, we found 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) is an analog of benzimidazole that has been synthesized by Langmuir adsorption isotherm. It is a white crystalline solid that can be dissolved in water and hydrochloric acid. 2-Chloro-1H-benzo[d]imidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine.Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2014,D’Auria, Maurizio published 《A New Index for the Estimation of the Aromatic Character – IV》.Letters in Organic Chemistry published the findings.Safety of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

The new aromaticity index based on the energy of π orbitals D = {[π1 +Σ2n (π1 – πn )]0 /[π1 +Σ2n (π1 – πn)]} × a , where n are the number of occupied π-orbitals and a is the number of cycles in the mol., was used in the calculation of the aromatic character of substituted pentaat. heterocyclic compounds Calculations have been performed on aromatic and heteroaromatic compounds by using DFT method at B3LYP/6-311+G(d,p) level. The D values were compared with those obtained performing the calculation of Aromatic Stabilization Energy (ASE) and Isomerization Stabilization Energy (ISE) of the same compounds In all the cases, a good correlation has been found. In the experiment, the researchers used 2-Bromo-1H-imidazole(cas: 16681-56-4Safety of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Safety of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Controlled Synthesis of Co@N-Doped Carbon by Pyrolysis of ZIF with 2-Aminobenzimidazole Ligand for Enhancing Oxygen Reduction Reaction and the Application in Zn-Air Battery》 was published in ACS Applied Materials & Interfaces in 2020. These research results belong to Zhang, Minghui; Zhang, Erhuan; Hu, Chunyan; Zhao, Yong; Zhang, Han-ming; Zhang, Yijie; Ji, Muwei; Yu, Jiali; Cong, Guangtao; Liu, Huichao; Zhang, Jiatao; Zhu, Caizhen; Xu, Jian. Category: imidazoles-derivatives The article mentions the following:

The Co/N-doped carbon material, as an important electrocatalytic material, has been attracted intense interest in ORR and Zn-air battery. Here, we report an efficient Co@N-doped carbon catalyst (Co@N-C-1) obtained by pyrolysis of ZIF precursor with 2-aminobenzimidazole. The introduction of 2-aminobenzimidazole results in the formation of hierarchical meso/microporous structure of the as-prepared Co@N-C-1, effectively avoiding the aggregation of Co nanoparticles during pyrolysis and the higher N content, which contributes to enhance the ORR electrocatalytic activities. The obtained Co@N-C-1 exhibits remarkable ORR performance with a half-wave potential of 0.938 V vs RHE in alk. media. As the air catalyst of zinc-air batteries, Co@N-C-1 displays 1.439 V of open-circuit voltage and 1413.3 Wh·kg-1 of energy d. In the part of experimental materials, we found many familiar compounds, such as 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Category: imidazoles-derivatives)

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones》 were Xing, Qi; Chan, Chun-Ming; Yeung, Yiu-Wai; Yu, Wing-Yiu. And the article was published in Journal of the American Chemical Society in 2019. Formula: C7H6N4O The author mentioned the following in the article:

We report the Ru-catalyzed enantioselective annulation of 1,4,2-dioxazol-5-ones to furnish γ-lactams in up to 97% yield and 98% ee via intramol. carbonylnitrene C-H insertion. By employing chiral diphenylethylene diamine (dpen) as ligands bearing electron-withdrawing arylsulfonyl substituents, the reactions occur with remarkable chemo- and enantioselectivities; the competing Curtius-type rearrangement was largely suppressed. Enantioselective nitrene insertion to allylic/propargylic C-H bonds was also achieved with remarkable tolerance to the C=C and CC bonds. The experimental process involved the reaction of Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Formula: C7H6N4O)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Formula: C7H6N4O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1996,Silverman, B. D.; Platt, Daniel. E. published 《Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition》.Journal of Medicinal Chemistry published the findings.Quality Control of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

3D-QSAR procedures utilize descriptors that characterize mol. shape and charge distributions responsible for the steric and electrostatic nonbonding interactions intimately involved in ligand-receptor binding. Comparative mol. moment anal. (CoMMA) utilizes moments of the mol. mass and charge distributions up to and including second order in the development of mol. similarity descriptors. As a consequence, two Cartesian reference frames are then defined with respect to each mol. structure. One frame is the principal inertial axes calculated with respect to the center-of-mass. For neutrally charged mol. species, the other reference frame is the principal quadrupolar axes calculated with respect to the mol. “”center-of-dipole””. QSAR descriptors include quantities that characterize shape and charge independently as well as quantities that characterize their relationship. 3D-QSAR partial least squares (PLS) cross-validation procedures are utilized to predict the activity of several training sets of mols. previously investigated. This is the first time that mol. electrostatic quadrupolar moments have been utilized in a 3D-QSAR anal., and it is shown that descriptors involving the quadrupolar moments and related quantities are required for the significant cross-validated predictive r2’s obtained. CoMMA requires no superposition step, i.e., no step requiring a comparison between two mols. at any stage of the 3D-QSAR calculation2-Bromo-1H-imidazole(cas: 16681-56-4Quality Control of 2-Bromo-1H-imidazole) was used in this study.

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Quality Control of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《A novel 2-aminobenzimidazole-based compound Jzu 17 exhibits anti-angiogenesis effects by targeting VEGFR-2 signalling》 was written by Lien, Jin-Cherng; Chung, Chi-Li; Huang, Tur-Fu; Chang, Tsung-Chia; Chen, Kuan-Chung; Gao, Ging-Yan; Hsu, Ming-Jen; Huang, Shiu-Wen. Reference of 1H-Benzo[d]imidazol-2-amineThis research focused onumbilical vein endothelial cell 2 aminobenzimidazole Jzu 17 antiangiogenesis. The article conveys some information:

In this study, we aim to characterize the anti-angiogenic mechanisms of a novel 2-aminobenzimidazole-based compound, Jzu 17, in an effort to develop novel angiogenesis inhibitor. Exptl. Approach : Effects of Jzu 17 on endothelial cell proliferation, migration, invasion, and activation of signalling mols. induced by VEGF-A, were analyzed by immunoblotting, MTT, BrdU, migration, and invasion assays. We performed tube formation assay, aorta ring sprouting assay, matrigel plug assay, and a mouse model of metastasis to evaluate ex vivo and in vivo anti-angiogenic effects of Jzu 17. Key Results : Jzu 17 inhibited VEGF-A-induced cell proliferation, migration, invasion, and endothelial tube formation of HUVECs. Jzu 17 suppressed VEGF-A-induced microvessel sprouting ex vivo and attenuated VEGF-A- or tumor cell-induced neovascularization in vivo. Jzu 17 also reduced B16F10 melanoma lung metastasis. In addition, Jzu 17 inhibited the phosphorylation of VEGFR-2 and its downstream signalling mols. in VEGF-A-stimulated HUVECs. Results from computer modeling further showed that Jzu 17 binds to VEGFR-2 with high affinity. Conclusions and Implications : Jzu 17 may inhibit endothelial remodelling and suppress angiogenesis through targeting VEGF-A-VEGFR-2 signalling. These results also suggest Jzu 17 as a potential lead compound and warrant the clin. development of similar agents in the treatment of cancer and angiogenesis-related diseases.1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Reference of 1H-Benzo[d]imidazol-2-amine) was used in this study.

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.Reference of 1H-Benzo[d]imidazol-2-amine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Related Products of 530-62-1In 2019 ,《Optimized Association of Short Alkyl Side Chains Enables Stiff, Self-Recoverable, and Durable Shape-Memory Hydrogel》 was published in ACS Applied Materials & Interfaces. The article was written by Wang, Shuting; Liu, Mengjuan; Gao, Liang; Guo, Guoqiang; Huo, Yanping. The article contains the following contents:

This work reports a self-healing and shape-memory hydrogel integrating multiple mech. properties. The network configuration is featured as entangled networks cross-linked by distributed association of short alkyl chains (hexyl, six carbons). These crosslinking knots are interconnected by the long hydrophilic polyvinyl alc. backbone. The optimal aggregation of hexyl side chains leads to the broadened distribution in bonding strength as verified by static and dynamic mech. characterization. These structural features contribute to high strength, toughness, stiffness, and yet fast recoverability. Furthermore, the hydrophobic and supramol. nature of aggregated alkyl chains offers high durability and solvent-assistant healing function. Finally, distributed association of hexyl side chains confers a broadened temperature-dependent modulus, allowing for encoding stepwise shape recovery from a temporary shape at different temperatures and/or times. In addition to this study using Di(1H-imidazol-1-yl)methanone, there are many other studies that have used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Related Products of 530-62-1) was used in this study.

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a coupling agent in the synthesis of dipolar polyamides for nonlinear optical applications and polypeptides. It also used to make β-keto sulfones and sulfoxides, lead sequestering agents, and β-enamino acid derivatives.Related Products of 530-62-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Mortada, Boushra; Chaplais, Gerald; Veremeienko, Vasyl; Nouali, Habiba; Marichal, Claire; Patarin, Joel published 《Energetic performances of ZIF-8 derivatives: Impact of substitution (Me, Cl, or Br) on imidazolate linker》.Journal of Physical Chemistry C published the findings.Product Details of 16681-56-4 The information in the text is summarized as follows:

The energetic performances of three isomorphic ZIF materials, i.e., ZIF-8_CH3 (Basolite Z1200), ZIF-8_Cl, and ZIF-8_Br, of SOD topol. are studied with high-pressure intrusion-extrusion experiments using water and aqueous electrolyte solutions (KCl 4 M and LiCl 20 M) as nonwetting liquids This work represents an important progress in the field of energetic applications, as the “”ZIF-8_Cl-LiCl 20 M”” system exhibits a spring behavior with a stored energy of 77 J g-1. To the best of our knowledge, this is the highest value for the stored energy obtained using intrusion-extrusion experiments Exptl. results reveal that the intrusion pressure increases with the addition of electrolytes. The systems evolve from a bumper to a shock-absorber or spring behavior with the decrease in the strength of the interactions between the cation of the salt and the imidazolate linker. This explains the bumper or rather the shock-absorber behavior observed for the “”ZIF-8_Br-KCl 4 M”” and “”ZIF-8_CH3-LiCl 20 M”” systems compared to the spring behavior observed with the other systems reported in this work. In the experimental materials used by the author, we found 2-Bromo-1H-imidazole(cas: 16681-56-4Product Details of 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Product Details of 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2003,Weiss, Andre; Barba, Victor; Pritzkow, Hans; Siebert, Walter published 《Synthesis, structures and reactivity of macrocyclic imidazolylboranes》.Journal of Organometallic Chemistry published the findings.Application In Synthesis of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

New macrocyclic substituted imidazolylboranes [(imidazol-1-yl)BR12]n, where n = 4 or 5, were obtained from 1-trimethylsilylimidazoles and haloboranes XB(R1)2 by boron/silicon exchange starting from 2-bromoimidazole and benzimidazole. Reaction of 2-bromo-1-trimethylsilylimidazole with H2BCl gave cyclic [C3H2BrN2-BH2]4 (2d) whereas the condensation of unsubstituted 2-bromoimidazole with H2BCl gave dihydroboratobis(2-bromo-3-imidazolium) chloride (3d), which can be converted to 2d by reaction with excess of BH3·THF. Benzimidazole was converted to analogous tetramer [C7H5N2-BH2]4 (2e) by the same reaction sequence via dihydroboratobis(3-benzimidazolium) chloride intermediate (3e). Condensation of 1-trimethylsilylimidazole with R1BCl2 afforded chloro-containing macrocycles [C3H3N2-BClR1]n (2f, 2g’; R1 = iPr2N, H; n = 4, 5, resp.). These macrocycles are formally zwitterionic and contain imidazolyl rings linked through their nitrogen atoms by BH2, B(R1)2 or BR1X units. Despite the steric demand of these derivatives tetrameric macrocycles are formed. The x-ray structures of 2d and 3d, and also of [C3H3N2-BH2]4 (2a), [C3H3N2-BH2]5 (2a’) and [C3H3N2-BMe2]4 (2b) are reported. In the experimental materials used by the author, we found 2-Bromo-1H-imidazole(cas: 16681-56-4Application In Synthesis of 2-Bromo-1H-imidazole)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. Application In Synthesis of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Name: 3-(1H-Benzo[d]imidazol-2-yl)propan-1-olOn October 8, 2015 ,《Discovery and Optimization of a Series of Pyrimidine-Based Phosphodiesterase 10A (PDE10A) Inhibitors through Fragment Screening, Structure-Based Design, and Parallel Synthesis》 was published in Journal of Medicinal Chemistry. The article was written by Shipe, William D.; Sharik, Steven S.; Barrow, James C.; McGaughey, Georgia B.; Theberge, Cory R.; Uslaner, Jason M.; Yan, Youwei; Renger, John J.; Smith, Sean M.; Coleman, Paul J.; Cox, Christopher D.. The article contains the following contents:

Screening of a fragment library for PDE10A inhibitors identified a low mol. weight pyrimidine hit with PDE10A Ki of 8700 nM and LE of 0.59. Initial optimization by catalog followed by iterative parallel synthesis guided by X-ray cocrystal structures resulted in rapid potency improvements with minimal loss of ligand efficiency. Compound 15h, with PDE10A Ki of 8.2 pM, LE of 0.49, and >5000-fold selectivity over other PDEs, fully attenuates MK-801-induced hyperlocomotor activity after i.p. dosing. The experimental process involved the reaction of 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol(cas: 2403-66-9Name: 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol)

3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol(cas: 2403-66-9) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. Name: 3-(1H-Benzo[d]imidazol-2-yl)propan-1-ol In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem