Tag: 100-200

On June 30, 1997, Zheng, Jun Ping; Chen, Ping; Hu, Xiu Jie; Zheng, De Shui published an article.Category: imidazoles-derivatives The title of the article was Effects of several antifoggants on photographic properties of photographic emulsions. And the article contained the following:

Effects of several antifoggants on sensitivity and fog properties of unsensitized- and sulfur sensitized cubic AgCl emulsion have been investigated. The results indicate that upon appropriate addition of antifoggant it can not only inhibit the increase of fog, but most important, also significantly increase the sensitivity of the emulsion (more than 2 times). Adsorption of the antifoggant on the surface of AgCl grains and the effect on the concentration of interstitial silver ions have been studied for elucidating the reason for the modification of photog. properties. Possible mechanism relating the sensitizing effect to electron traps was discussed and suggested. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Category: imidazoles-derivatives

The Article related to photog emulsion antifoggant agent mercaptobenzimidazole mercaptobenzothiazole, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Silver Halide Photographic Chemistry and Processes and other aspects.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 20, 2010, Tang, Kai; Yan, Jie; Sun, Ya-li; Li, Li published an article.Related Products of 5709-67-1 The title of the article was Synthesis of new benzimidazole corrosion inhibitor applied in cemented carbide. And the article contained the following:

Three kinds of benzimidazole ramification including 2-(o/i/p)-nitrobenzimidazole were synthesized by one step with o-phenylenediamine and nitrobenzaldehyde as the materials. And they were applied in cemented carbide anticorrosion. The results show that the optimal synthesis tech. parameters are as follows: the ratio of o-phenylenediamine to nitrobenzaldehyde is 1.2, reaction temperature 60掳C, and heating duration 20 min. The m.p. anal. results show that the synthetic product is the target product. The corrosion inhibition rate of the new corrosion inhibitor is up to 95.6%, better than that of the similar domestic products. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Related Products of 5709-67-1

The Article related to benzimidazole corrosion inhibitor cemented carbide synthesis, Nonferrous Metals and Alloys: Corrosion (If The Primary Interest Is In The Metal), Erosion, Cavitation, Tribology, and Oxidation and other aspects.Related Products of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On November 15, 2019, Abdulazeez, Ismail; Khaled, Mazen; Al-Saadi, Abdulaziz A. published an article.Computed Properties of 5709-67-1 The title of the article was Impact of electron-withdrawing and electron-donating substituents on the corrosion inhibitive properties of benzimidazole derivatives: A quantum chemical study. And the article contained the following:

The role of substituents in the enhancement of corrosion inhibition effectiveness in some organic compounds has been the subject of several studies in recent years. Understanding the relationship between corrosion inhibition performance and electronic properties of the mol. shall facilitate the design of efficient inhibitors and reduce the burden of exptl. trials involved. In this study, quantum chem. calculations using d. functional theory (DFT) method were performed on benzimidazole and its derivatives involving various electron-withdrawing and electron-releasing substituents. Several reactivity indicators, such as frontier orbitals, energy gaps, electronegativity, electrophilicity and global hardness were calculated and correlated with available exptl. data. Frontier orbital energy gap predicted 2-nitrobenzimidazole to possess higher anti-corrosion properties, while electronegativity, electrophilicity and global hardness predicted 2-aminobenzimidazole to exhibit higher corrosion inhibition tendency. Results of mol. level interaction studies predicted that the adsorption of the mols. over the iron surface would take place preferentially through the nitrogen atoms of the imidazole ring and the carbon atoms of the benzene ring, resulting in the formation of Fe-N and Fe-C bonds with 2.00-2.40 脜 bond distances which lie within the range of the chemisorption interaction. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Computed Properties of 5709-67-1

The Article related to benzimidazole derivative corrosion inhibitor electron withdrawing donating substituent, Ferrous Metals and Alloys: Corrosion (If The Primary Interest Is In The Metal), Erosion, Cavitation, Tribology, and Oxidation and other aspects.Computed Properties of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kumari, Mitlesh; Gupta, Ragini; Jain, Yachana published an article in 2019, the title of the article was Fe3O4 – Glutathione stabilized Ag nanoparticles: A new magnetically separable robust and facile catalyst for aqueous phase reduction of nitroarenes.Related Products of 5709-67-1 And the article contains the following content:

The heterostructured Ag nanoparticles decorated Fe3O4 Glutathione (Fe3O4-Glu-Ag) nanoparticles (NPs) were synthesized by sonicating glutathione (Glu) with magnetite and further surface immobilization of silver NPs on it. The ensuing magnetic nano catalyst is well characterized by Fourier transform IR spectroscopy (FTIR), SEM (SEM), high resolution transmission electron microscopy (HRTEM), powder X-ray diffraction (PXRD), thermogravimetric anal. (TGA). The prepared Fe3O4-Glu-Ag nanoparticles have proved to be an efficient and recyclable nanocatalyst with low catalyst loading for the reduction of nitroarenes GC6H4NO2 (G = 4-OH, 2-NH2, 4-Br, etc.), 1-nitro-naphthalene and heteronitroarenes such as 5-nitro indole, 2-nitro benzimidazole to resp. amines GC6H4NH2, 1-naphthylamine and heteroaminoarenes such as 5-amino indole, 2-amino benzimidazole in the presence of NaBH4 using water as a green solvent which could be easily separated at the end of a reaction using an external magnet and can be recycled up to 5 runs without any significant loss in catalytic activity. Gram scale study for the reduction of 4-NP has also being carried out successfully and it has been observed that this method can serve as an efficient protocol for reduction of nitroarenes on industrial level. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Related Products of 5709-67-1

The Article related to aminoarene preparation green chem, nitroarene reduction iron oxide nanocatalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Amines, Amine Oxides, Imines, and Quaternary Ammonium Compounds and other aspects.Related Products of 5709-67-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On September 6, 2007, Kistler, Kurt A.; Matsika, Spiridoula published an article.COA of Formula: C6H5N3O The title of the article was Cytosine in Context: A Theoretical Study of Substituent Effects on the Excitation Energies of 2-Pyrimidinone Derivatives. And the article contained the following:

The ultrafast radiationless decay mechanism for cytosine has been shown to be in part dependent upon high vertical excitation, while slower fluorescence displayed in some cytosine analogs is generally linked to lower vertical excitation energies. To probe how excitation energies relate to pyrimidine structure, substituent effects on the vertical excitation energies for a number of derivatives of 2-pyrimidin-(1H)-one (2P) have been calculated using multireference configuration-interaction ab initio methods. Substitutions using groups with 蟺 electron donating, withdrawing and conjugation-extending properties at the C4 and C5 positions on the 2P system give predictive trends for the first three singlet excited-state energies. The S1 蟺蟺* energies of 2P derivatives involving C4 substitution vary linearly with the Hammett substituent parameter 蟽P+. Cytosine is shown to have the highest bright 蟺蟺* energy of the 2P derivatives presented, with that energy being strongly dependent on the position, orientation, and geometry of the C4-amino. A simple description of the predictive energetic trends for the bright 蟺蟺* energies using frontier MO theory is presented, based on the character of the HOMO and LUMO orbitals for each derivative The results of this study expand the current understanding of the photophys. behavior of the DNA pyrimidine bases and could be useful in the design of analogs where particular spectral properties are desired. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).COA of Formula: C6H5N3O

The Article related to cytosine theory substituent effect excitation energy pyrimidinone, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.COA of Formula: C6H5N3O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Fareghi-Alamdari, Reza; Zandi, Farzad; Keshavarz, Mohammad Hossein published an article in 2015, the title of the article was A New Model for Prediction of One Electron Reduction Potential of Nitroaryl Compounds.Quality Control of 2-Nitro-1H-benzo[d]imidazole And the article contains the following content:

This paper introduces a simple model for prediction of one electron reduction potential [E(RNO2/R鈥O2-)] of various nitroaryl compounds The new method uses energy difference between HOMO (HOMO) and LUMO (LUMO) in gas phase at the B3LYP/6-311++G** level (螖EHOMO-LUMO) and some structural parameters. It was used for 35 nitroaryl compounds including nitrobenzenes, nitrofurans, 2-nitroimidazoles, 4-nitroimidazoles, 5-ninuintidazoles, nitroazaindoles, nitroacridines, and miscellaneous nitroaryl compounds The root mean square (rms) percent deviation and the average absolute error of predictions of E(RNO2/R鈥O2-) relative to experiment were decreased from 12.4 % and 0.42 V to 3.5 % and 0.11 V, resp., upon consideration of several structural parameters. Increment of the value of 螖EHOMO-LUMO and inclusion of specific polar groups can increase thermodn. stability of these compounds The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Quality Control of 2-Nitro-1H-benzo[d]imidazole

The Article related to aromatic nitrate one electron reduction potential energy gap, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Quality Control of 2-Nitro-1H-benzo[d]imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On July 15, 2020, Al-Otaibi, Jamelah S.; Almuqrin, Aljawhara H.; Mary, Y. Sheena; Thomas, Renjith published an article.Safety of N-(3-Aminopropyl)-imidazole The title of the article was Modeling the conformational preference, spectroscopic properties, UV light harvesting efficiency, biological receptor inhibitory ability and other physico-chemical properties of five imidazole derivatives using quantum mechanical and molecular mechanics tools. And the article contained the following:

Five imidazole derivatives, 1-Boc-imidazole (B1), 1-(trifluoroacetyl)imidazole (B2), 1-(2-hydroxyethyl)imidazole (B3), 1-(aminopropyl)imidazole (B4) and 1-ethylimidazole (B5) were analyzed for the structural, nonlinear optical, electronic and biol. properties. The functional nature of the compounds were analyzed using vibrational spectra and Raman spectra and was compared with the scaled, simulated spectra obtained using the d. functional theory using appropriate functional and basis set with diffuse orbitals and are found to be in close agreement. Relaxed potential energy scan predicts the stable conformers. Anal. of the outermost MOs gave their energy difference, aiding in predicting stability and other electronic properties. Time dependent d. functional theory was used to analyze the electron excitation and de-excitation dynamics of these mols. and to predict the use of these mols. as effective UV photosensitizers. This work further discusses in detail the natural bond orbital (NBO) studies for intramol. stabilization factors, mol. electrostatic potential (MEP) and hyperpolarizability calculations Further, mol. docking studies were conducted for the compounds with glucan endo-1,6-beta-glucosidase and protein-glutamate methylesterase to predict their utility as potential inhibitors. The experimental process involved the reaction of N-(3-Aminopropyl)-imidazole(cas: 5036-48-6).Safety of N-(3-Aminopropyl)-imidazole

The Article related to imidazole homo lumo conformation mol docking uv ir spectra, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Safety of N-(3-Aminopropyl)-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On October 19, 1984, Nair, Vasu; Offerman, Rick J.; Turner, Gregory A. published an article.Computed Properties of 55662-66-3 The title of the article was Structural alteration of nucleic acid bases by bromomalonaldehyde. And the article contained the following:

BrCH(CHO)2, prepared by bromination of CH2(CHO)2 with Br, has been employed to modify a number of nucleic acid bases. These reactions transform pyrimidine and purine bases into modified systems containing etheno and etheno carboxaldehyde moieties, among other products. The structures of these modified bases were established by UV, mass spectral, and high-field NMR data. Fluorescence emission data for some of the adducts are of significance. The general mechanism of modification is discussed. The experimental process involved the reaction of Imidazo[1,2-c]pyrimidin-5(6H)-one(cas: 55662-66-3).Computed Properties of 55662-66-3

The Article related to bromomalonaldehyde purine pyrimidine base, nucleic acid base bromomalonaldehyde, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Computed Properties of 55662-66-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On November 30, 1993, Bhattacharya, Birendra K.; Rao, T. Sudhakar; Lewis, Arthur F.; Revankar, Ganapathi R.; Sanghvi, Yogesh S.; Robins, Roland K. published an article.Safety of 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one The title of the article was Synthesis of certain N- and C-alkyl purine analogs. And the article contained the following:

A number of N- and C-alkyl derivatives of selected guanine analogs have been synthesized as potential antiviral agents. N-Pentyl, N-hexyl and 6-hydroxyhexyl derivatives in the imidazo[1,2-a]-s-triazine, I [R = (CH2)4Me, (CH2)5Me, (CH2)5CH2OH, X = NH2] , imidazo[1,2-a]pyrimidine, I (X = Cl, NH2), and thiazolo[4,5-d]pyrimidine, II, ring system have been prepared by the direct alkylation of the sodium salt of the appropriate aglycon with the resp. alkylbromides. Dehydrative coupling of 3-amino-6-hydrazino-1,2,4-triazin-5(4H)-one with either hexanoic acid or heptanoic acid, and further ring closure of the reaction products provided the n-pentyl and n-hexyl derivatives of 6-amino-1,2,4-triazolo[3,4-f][1,2,4]triazin-8(7H)-one III [R1 = (CH2)4Me, (CH2)5Me, X = NH, Y = N], resp. A similar condensation of 3-amino-6-aminomethyl-1,2,4-triazin-5(4H)-one with heptanoic acid, followed by ring annulation, readily gave 2-amino-7-n-hexylimidazo[5,1-f][1,2,4]triazin-4(3H)-one III [R1 = (CH2)5Me, X = CH2, Y = CH] (IV). Bromination of IV with N-bromosuccinimide afforded the corresponding 5-bromo derivative Alkylation of the in situ generated sodium salt of 4-methoxycarbonylmethyl-5-methoxycarbonyl-2-oxo-1H,3H-imidazole with 1-bromohexane gave the N-1 alkylated product. Manipulation of the functional groups in the latter compound and further hydrazine mediated ring annulation furnished 5,6-diamino-1-n-hexyl-3-methylimidazo[4,5-c]pyridine-2,4-dione. The experimental process involved the reaction of 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one(cas: 57473-33-3).Safety of 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one

The Article related to purine alkyl analog, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Safety of 7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On October 1, 2021, Bubyrev, Andrey; Adamchik, Maria; Darin, Dmitry; Kantin, Grigory; Krasavin, Mikhail published an article.COA of Formula: C6H11N3 The title of the article was Metal-Free Three-Component Synthesis of 1,2,3-Triazoline-4-Sulfonamides. And the article contained the following:

A new type of diazo compounds, namely, CH-diazomethane sulfonamides (generated in situ from readily available α-acetyl-α-diazomethane sulfonamides MeC(O)C(=N2)S(O)2NRR1 [R = Me; R1 = Ph, Bn, 4-fluorophenyl; RR1 = -(CH2)4-, -(CH2)2O(CH2)2-]) was employed in a 1,3-dipolar cycloaddition reaction with imines (also formed in situ from primary amines R2NH2 (R2 = n-Bu, cyclopentyl, morpholino, etc.) and aldehydes R3CHO (R3 = cyclopropyl, Ph, pyridin-3-yl, etc.)). The reaction gave hitherto undescribed 1,5-disubstituted 1,2,3-triazolin-4-yl sulfonamides I which were obtained in good to excellent yields and complete trans-diastereoselectivity. Oxidative aromatization of 1,2,3-triazolin-4-yl sulfonamides by manganese(IV) oxide gave nearly quant. yields of 1,2,3-triazol-4-yl sulfonamides II of which only two examples have been reported in the literature. The experimental process involved the reaction of N-(3-Aminopropyl)-imidazole(cas: 5036-48-6).COA of Formula: C6H11N3

The Article related to triazolyl sulfonamide preparation, triazolinyl sulfonamide preparation diastereoselective oxidative aromatization, acetyl diazomethane sulfonamide amine aldehyde three component dipolar cycloaddition and other aspects.COA of Formula: C6H11N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem