Category: imidazoles-derivatives

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

Li, Yiming; Rizvi, S. Aal-e-Ali; Hu, Deqing; Sun, Danwen; Gao, Anhui; Zhou, Yubo; Li, Jia; Jiang, Xuefeng published an article in 2019, the title of the article was Selective Late-Stage Oxygenation of Sulfides with Ground-State Oxygen by Uranyl Photocatalysis.Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole And the article contains the following content:

Oxygenation is a fundamental transformation in synthesis. Herein, we describe the selective late-stage oxygenation of sulfur-containing complex mols. with ground-state oxygen under ambient conditions. The high oxidation potential of the active uranyl cation (UO22+) enabled the efficient synthesis of sulfones. The ligand-to-metal charge transfer process (LMCT) from O 2p to U 5f within the O::U::O group, which generates a UV center and an oxygen radical, is assumed to be affected by the solvent and additives, and can be tuned to promote selective sulfoxidation This tunable strategy enabled the batch synthesis of 32 pharmaceuticals and analogs by late-stage oxygenation in an atom- and step-efficient manner. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

The Article related to photooxidation catalyst uranyl sulfide sulfoxide sulfone, oxygen, oxygenation, photocatalysis, sulfides, uranyl catalysis, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Radiation Chemistry and Photochemistry and other aspects.Name: 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

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

Acosta-Guzman, Paola; Mahecha-Mahecha, Camilo; Gamba-Sanchez, Diego published an article in 2020, the title of the article was Electrophilic Chlorine from Chlorosulfonium Salts: A Highly Chemoselective Reduction of Sulfoxides.COA of Formula: C17H19N3O2S And the article contains the following content:

A selective late-stage deoxygenation of sulfoxides based on a novel application of chlorosulfonium salts RS+(Cl)R1 (R = Ph, benzyl, benzamidazol-2-yl, pyridin-2-yl, etc.; R1 = Me, Pr, allyl, vinyl, etc.; RR1 = -CH2S(CH2)3-) demonstrates a new process using these species generated in situ from sulfoxides RS(O)R1 as the source of electrophilic chlorine. The use of highly nucleophilic 1,3,5-trimethoxybenzene (TMB) as the reducing agent is described for the first time and applied in the deoxygenation of simple and functionalized sulfoxides. The method is easy to handle, economic, suitable for gram-scale operations, and readily applied for poly-functionalized mols., as demonstrated with more than 45 examples, including com. medicines and analogs. Also results of competition experiments that define the more reactive sulfoxide, and a mechanistic proposal based on substrate and product observations was reported. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).COA of Formula: C17H19N3O2S

The Article related to sulfide preparation chemoselective, sulfoxide deoxidation, chemoselectivity, deoxygenation, sulfides, sulfonium salts, sulfoxides, synthetic methods, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ethers, Sulfides, and The Corresponding Onium Compounds and other aspects.COA of Formula: C17H19N3O2S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wang, Dong; Liu, Zhenlin; Wang, Zhentao; Ma, Xinyue; Yu, Peng published an article in 2019, the title of the article was Metal- and base-free regioselective thiolation of the methyl C(sp3)-H bond in 2-picoline N-oxides.Application In Synthesis of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole And the article contains the following content:

A one-pot, two-step synthesis of pyridine-2-ylmethyl thioethers is developed through a TFAA-mediated [3,3]-sigmatropic rearrangement of pyridine N-oxides and TBAB-catalyzed direct conversion of trifluoroacetates into thioethers under metal- and base-free conditions. This methodol. enables thiolation of the unactivated Me C(sp3)-H bond in 2-picolines with thiols. Remarkable features of the method include high regioselectivity, step- and atom-economy, mild conditions, simple operation, wide substrate scope and scalability. Furthermore, the method has been successfully applied to the synthesis of omeprazole sulfide and rabeprazole sulfide without the need for TBAB catalysis. A comprehensive green chem. metrics anal. indicated that this method is much more efficient and greener than the reported synthesis of rabeprazole sulfide. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).Application In Synthesis of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

The Article related to aryl pyridylmethyl sulfide preparation, picoline thiophenol regioselective thiolation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ethers, Sulfides, and The Corresponding Onium Compounds and other aspects.Application In Synthesis of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On December 9, 2009, Sousa, Sara C. A.; Fernandes, Ana C. published an article.Formula: C17H19N3O2S The title of the article was Highly efficient and chemoselective reduction of sulfoxides using the system silane/oxo-rhenium complexes. And the article contained the following:

This work reports a novel method for the reduction of sulfoxides with silanes catalyzed by high valent oxo-rhenium(V) and (VII) complexes. The catalytic system PhSiH3/ReIO2(PPh3)2 (1 mol %) proved to be highly efficient for the reduction of a wide range of sulfoxides in excellent yields under mild conditions. This novel methodol. is also highly chemoselective, tolerating several functional groups such as -CHO, -CO2R, -Cl, -NO2, and double or triple bonds. The experimental process involved the reaction of 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]thio]benzimidazole(cas: 73590-85-9).Formula: C17H19N3O2S

The Article related to chemoselective reduction sulfoxide silane rhenium catalyst, thio ether preparation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ethers, Sulfides, and The Corresponding Onium Compounds and other aspects.Formula: C17H19N3O2S

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem