Tag: 100-200

In 2019,Zeitschrift fuer Kristallographie – New Crystal Structures included an article by Xing, Ai-Ping; Zeng, Dai; Zhang, Shu-Ling; Wei, Jun-Jun; Guo, Da-Feng. Computed Properties of C7H7N3. The article was titled 《Crystal structure of 2-((1H-benzo[d]imidazol-2-ylimino)methyl)-4,6-di-tert-butylphenol, C22H27N3O》. The information in the text is summarized as follows:

C22H27N3O, monoclinic, P21/c (number 14), a = 18.4984(4) Å, b = 11.4221(3) Å, c = 9.79600(19) Å, β = 90.9652(19)°, V = 2069.51(8) Å3, Z = 4, Rgt(F) = 0.0605, wRref(F2) = 0.1773, T = 293(2) K. In a typical experiment 2-aminobenzimidazole (1.3315 g, 10 mmol) and 3,5-bis(1,1-dimethylethyl)-2-hydroxy-benzaldehyde (2.3433 g, 10 mmol) were mixed in 25 mL ethanol and refluxed for 3 h. When the solution was cooled to room temperature, a light yellow solid was obtained. Crystallization from methanol at room temperature gave the title compound as colorless crystals of good diffraction quality. The experimental process involved the reaction of 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Computed Properties of C7H7N3)

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.Computed Properties of C7H7N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Borges-Munoz, Amaris; Patel, Harshkumar; Tattersall, Peter published an article in Journal of Pharmaceutical and Biomedical Analysis. The title of the article was 《Derivatization and determination of residual N,N-Carbonyldiimidazole by LC for an in-process control test》.Recommanded Product: Di(1H-imidazol-1-yl)methanone The author mentioned the following in the article:

For the robust anal. of N,N-Carbonyldiimidazole (CDI), its derivatization into a more stable compound may be needed. Herein, the reaction of CDI with N-benzylmethylamine followed by LC-UV quant. anal. was explored. Reaction conditions as well as LC method feasibility were demonstrated by qualification of selectivity from other impurities and reagents, linearity across a range of 0.05-0.15%weight/weight, spike and recovery across a range of 0.05-0.15%weight/weight, reaction reproducibility with various samples, reagents and anal. chemists, and sample stability of over 24 h. Rapid and quant. derivatization of residual CDI was achieved at 0.1% weight/weight relative to the synthetic product under consideration. A fit-for-purpose limit test using a RPLC-UV method as an in-process control for the reaction completion of product, at scale, was successfully implemented and executed. In the experiment, the researchers used many compounds, for example, Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Recommanded Product: Di(1H-imidazol-1-yl)methanone)

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.Recommanded Product: Di(1H-imidazol-1-yl)methanone

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《An AIE-active probe for selective fluorometric-colorimetric detection of HSO3- in aqueous solution and real samples》 was written by Han, Jia Hong; Gao, Wen Ying; Feng, Li Heng; Wang, Yu; Shuang, Shao Min. COA of Formula: C7H7N3 And the article was included in Journal of Photochemistry and Photobiology, A: Chemistry in 2021. The article conveys some information:

We report herein a new biphenylcarbonitrile derivative, 4′-hydroxy-3′ -((2-imidazolylimino) methyl)-4-biphenyl carbonitrile (HIBC), which interestingly exhibits an aggregation-induced emission property. HIBC was employed for selective dual mode (fluorimetric and colorimetric) assay of HSO3- ions in nearly 100% aqueous medium at pH 7.4. The nucleophilic addition of HSO3- on the imino group in HIBC breaks its π-electron conjugation and results in a noticeable absorption and fluorescence spectral changes accompanied by a visible color change. Moreover, the formation of anionic addition product weakened the aggregation effect and meanwhile inhibited ESIPT process in HIBC, causing quenching of keto fluorescence of the probe. The probe shows good selectivity for HSO3- ions over all other competitive anions, which renders it a promising candidate for ratiometric fluorescent assay of HSO3- in aqueous systems. The limit of detection is 1.83 x 10-7 mol/L. For the practical applicability, handy paper strips were fabricated from HIBC for convenient recognition of HSO3-. Addnl., HIBC was applied for the living HeLa cells bio-imaging. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7COA of Formula: C7H7N3)

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.COA of Formula: C7H7N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide》 was published in Acta Crystallographica, Section E: Crystallographic Communications in 2020. These research results belong to Pokhodylo, Nazariy; Slyvka, Yurii; Pavlyuk, Volodymyr. Computed Properties of C7H6N4O The article mentions the following:

The title compound, C19H17ClN4O2, was obtained via a two-step synthesis involving the enol-mediated click Dimroth reaction of 4-azidoanisole with Me 3-cyclopropyl-3-oxopropanoate leading to the 5-cyclopropyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid and subsequent acid amidation with 4-chloroaniline by 1,1′-carbonyldiimidazole (CDI). It crystallizes in space group P21/n, with one mol. in the asym. unit. In the extended structure, two mols. arranged in a near coplanar fashion relative to the triazole ring planes are interconnected by N-H···N and C-H···N hydrogen bonds into a homodimer. The formation of dimers is a consequence of the above interaction and the edge-to-face stacking of aromatic rings, which are turned by 58.0 (3)° relative to each other. The dimers are linked by C-H···O interactions into ribbons. DFT calculations demonstrate that the frontier MOs are well separated in energy and the HOMO is largely localized on the 4-chlorophenyl amide motif while the LUMO is associated with aryltriazole grouping. A Hirshfeld surface anal. was performed to further analyze the intermol. interactions. After reading the article, we found that the author used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Computed Properties of 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.Computed Properties of C7H6N4O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Category: imidazoles-derivativesIn 2021 ,《4H-Chromenes as 1,3-bielectrophiles in the reaction with 2-aminobenzimidazole: synthesis of pyrimido[1,2-a]benzimidazoles》 appeared in Chemistry of Heterocyclic Compounds (New York, NY, United States). The author of the article were Osyanin, Vitaly A.; Osipov, Dmitry V.; Korzhenko, Kirill S.; Demidov, Oleg P.; Klimochkin, Yuri N.. The article conveys some information:

A method for the preparation of pyrimido[1,2-a]benzimidazoles containing a 2-hydroxybenzyl or (2-hydroxynaphthalen-1-yl)methyl group at position 3 was proposed based on the reaction of β-carbonyl-substituted 4H-chromenes and their benzo analogs with 2-aminobenzimidazole. In the case of chromenes substituted in the methylene fragment, 7,13a-dihydro-5H-benzo[5′,6′]chromeno-[3′,2′:5,6]pyrimido[1,2-a]benzimidazoles were isolated. In the experiment, the researchers used many compounds, for example, 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

In 2019,Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy included an article by Ta, Sabyasachi; Das, Sudipta; Ghosh, Milan; Banerjee, Mahuya; Hira, Sumit Kumar; Manna, Partha Pratim; Das, Debasis. Recommanded Product: 1H-Benzo[d]imidazol-2-amine. The article was titled 《A unique benzimidazole-naphthalene hybrid molecule for independent detection of Zn2+ and N-3 ions: Experimental and theoretical investigations》. The information in the text is summarized as follows:

Single crystal X-ray structurally characterized benzimidazole-naphthalene hybrid (NABI) functions as a unique dual analyte sensor that can detect Zn2+ cation and N-3 anion independently. The NABI forms chelate with Zn2+ to inhibit internal charge transfer (ICT) and -CH=N- isomerization resulting chelation enhanced fluorescence (CHEF). On the other hand, the sensing of N-3 is based on formation of supramol. H-bonded rigid assembly. The association constant of NABI for Zn2+ and N-3 ions are 19 × 104 M-1 and 11 × 102 M-1, resp. Corresponding limit of detections (LOD) are 6.85 × 10-8 and 1.82 × 10-7 M, resp. NABI efficiently detects intracellular Zn2+ and N-3 ions with no cytotoxicity on J774A.1cells under fluorescence microscope. DFT studies unlock underlying spectroscopic properties of free NABI and Zn2+/N-3 bound forms. The experimental process involved the reaction of 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Recommanded Product: 1H-Benzo[d]imidazol-2-amine)

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.Recommanded Product: 1H-Benzo[d]imidazol-2-amine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2017,Jeyaleela, G. Dayana; Monisha, S. Irudaya; Vimala, J. Rosaline; Immaculate, A. Anitha published 《Isolation of 2-chlorobenzimidazole from Melia dubia leaf extract and its structural characterisation》.International Journal of Pharmacy and Pharmaceutical Sciences published the findings.Application In Synthesis of 2-Chloro-1H-benzo[d]imidazole The information in the text is summarized as follows:

Objective: Natural products from medicinal plants, either as isolated compounds or as standardized plant extracts exhibit promising source of medicinal activity against various diseases. The aim of the present work was to make an attempt of isolation of bioactive principle and characterization of the isolated compound, from the medicinal plant Melia dubai Methods: The extraction was done by a cold percolation method and the compound was separated and isolated by chromatog. technique such as a thin layer chromatog. (TLC), column chromatog. and high-performance liquid chromatog. (HPLC). The isolated compound was crystallized and the structural characterization of the isolated compound was made using UV-Visible, FT-IR, 1H-NMR, GC-MS and MS techniques which confirmed the structure of the isolated compound Results: The separated and isolated compound was characterized by both phys. and spectral methods like UV-Visible spectroscopy (UV-Visible), Fourier transform IR spectroscopy (FT-IR), Proton NMR Spectroscopy (1H-NMR), Gas chromatog.-mass spectrometry (GC-MS), and Mass spectrometry(MS). Based on the studies, organizational characteristics of one bioactive principle were deciphered. The results revealed that the isolated species is 2-chlorobenzimidazole and it agreed well with the reported value and spectra for 2-chlorobenzimidazole. Conclusion: The above results obtained in this research work clearly indicated the promising occurrence of 2-chlorobenzimidazole in Media dubia plant leaves. The future scope of these studies may guide us to view the biol. activity of the isolated compound In the part of experimental materials, we found many familiar compounds, such as 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 1967,Barlin, Gordon B.; Batterham, Thomas J. published 《The proton magnetic resonance spectra of some diazoles, triazoles, and tetrazoles》.Journal of the Chemical Society [Section] B: Physical Organic published the findings.Synthetic Route of C3H3BrN2 The information in the text is summarized as follows:

The N.M.R. spectra of various charged species from 33 azoles have been measured. In N-methyl-imidazoles and -1,2,4-triazoles the sites of protonation have been determined, and the cations appear to be stabilized by amidinium type resonance. Solvent effects are discussed. 27 references.2-Bromo-1H-imidazole(cas: 16681-56-4Synthetic Route of C3H3BrN2) 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. Synthetic Route of C3H3BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《””Induced-Fit Suction”” effect: a booster for biofuel storage and separation》 were Li, He; Guo, Fangyuan; Hu, Jun; Peng, Changjun; Wang, Hualin; Liu, Honglai; Li, Jing. And the article was published in Journal of Materials Chemistry A: Materials for Energy and Sustainability in 2019. Recommanded Product: 1H-Benzo[d]imidazol-2-amine The author mentioned the following in the article:

Target-response deformation has provided a wide variety of possibilities for selective mol. separation In this report, both exptl. and theor. methods were used to demonstrate how fine-tuning the amphiphilicity of ZIF-7 can induce an alc.-based target-response deformation. A step-by-step simulation of dynamic adsorption revealed that ZIF-7-NH2 can successfully align alc. mols. to facilitate selective adsorption, while the benzene rings in ZIF-7-NH2 were induced to flip over and maintain the open-gate conformation. As a result, ZIF-7-NH2 with an amino mole ratio of 10% achieved an ideal n-butanol/water selectivity of 40, and also the highest n-butanol uptake of 4.33 mmol g-1 from 5 wt% n-butanol aqueous solution under ambient conditions. Therefore, a new mechanism of “”Induced-Fit Suction”” (IFS) that we propose provides a promising new strategy for biofuel separation After reading the article, we found that the author used 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Recommanded Product: 1H-Benzo[d]imidazol-2-amine)

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.Recommanded Product: 1H-Benzo[d]imidazol-2-amine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《An Electrochemical Sandwich Immunosensor for the Detection of HER2 using Antibody-Conjugated PbS Quantum Dot as a label》 were Lah, Zur Mira Azizah Nor Haiza; Ahmad, Shahrul Ainliah Alang; Zaini, Muhammad Safwan; Kamarudin, Mazliana Ahmad. And the article was published in Journal of Pharmaceutical and Biomedical Analysis in 2019. Category: imidazoles-derivatives The author mentioned the following in the article:

A facile electrochem. sandwich immunosensor for the detection of a breast cancer biomarker, the human epidermal growth factor receptor 2 (HER2), was designed, using lead sulfide quantum dots-conjugated secondary HER2 antibody (Ab2-PbS QDs) as a label. Using Ab2-PbS QDs in the development of electrochem. immunoassays leads to many advantages such as straightforward synthesis and well-defined stripping signal of Pb(II) through acid dissolution, which in turn yields better sensing performance for the sandwiched immunosensor. In the bioconjugation of PbS QDs, the available amine and hydroxyl groups from secondary anti-HER2 and capped PbS QDs were bound covalently together via carbonyldiimidazole (CDI) acting as a linker. In order to quantify the biomarker, SWV signal was obtained, where the Pb2+ ions after acid dissolution in HCl was detected. The plated mercury film SPCE was also detected in situ. Under optimal conditions, HER2 was detected in a linear range from 1-100 ng/mL with a limit of detection of 0.28 ng/mL. The measures of satisfactory recoveries were 91.3% to 104.3% for the spiked samples, displaying high selectivity. Therefore, this method can be applied to determine HER2 in human serum. In the experiment, the researchers used many compounds, for example, Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Category: imidazoles-derivatives)

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.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem