Category: 3034-41-1

Halogenated (acylamino)imidazoles and benzimidazoles for directed halogen-metal exchange-based functionalization was written by Groziak, Michael P.;Ding, Hong. And the article was included in Acta Chimica Slovenica in 2000.Electric Literature of C4H5N3O2 This article mentions the following:

Regioselective syntheses of 4- and 5-(acylamino)-1-alkylimidazoles bearing an ortho-halogen atom have been developed. Suitable for use in ortho-directed halogen-metal exchange-mediated ring functionalizations, these compounds are valuable precursors to ortho-functionalized versions of biol. active 4- and 5-aminoimidazoles. To widen the scope of this approach to cover similarly-substituted benzimidazoles and their potentially bioactive nucleosides, the synthesis of halogenated 5- and 6-(acylamino)-benzimidazoles and their ribosides was also explored. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Electric Literature of C4H5N3O2).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Electric Literature of C4H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The ionization constants of some imidazoles was written by Gallo, Gian Gualberto;Pasqualucci, Carmine Renato;Radaelli, Pietro;Lancini, Gian Carlo. And the article was included in Journal of Organic Chemistry in 1964.Application of 3034-41-1 This article mentions the following:

The basic and the acidic ionization constants of some imidazole derivatives have been determined spectrophotometrically or potentiometrically. For the nitroimidazoles, the spectrophotometric method has been used in concentrated sulfuric acid solutions, for which the Hammett acidity function, H₀, has been adopted. Tautomeric equilibrium constants of the imidazoles containing an imino H have been calculated The ionization constants have been correlated to the substituents and their position in the imidazole ring. The usefulness of pK_a measurements in assigning structures of these compounds is pointed out. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Application of 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Application of 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The proton magnetic resonance spectra of some diazoles, triazoles, and tetrazoles was written by Barlin, Gordon B.;Batterham, Thomas J.. And the article was included in Journal of the Chemical Society [Section] B: Physical Organic in 1967.Product Details of 3034-41-1 This article mentions the following:

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. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Product Details of 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Product Details of 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Mechanism of methylation of 4(or 5)-nitroglyoxaline by methyl sulfate was written by Grimison, A.;Ridd, J. H.. And the article was included in Chemistry & Industry (London, United Kingdom) in 1956.Name: 1-Methyl-4-nitroimidazole This article mentions the following:

A kinetic study was undertaken under homogeneous conditions. The acidity of 4(or 5)-nitroglyoxaline (I) in water was determined from UV spectra, pK 9.22 in aqueous 10% EtOH containing 0.3-0.9N NaOH. The rate was k₂(Me₂SO₄) (G^–), where G^– is the conjugate base of I. The rate of concurrent hydrolysis of Me₂SO₄ (II) was k’₁(Me₂SO₄) + k’₂(Me₂SO₄) (OH^–). At 25掳, k₂ = 1.9 脳 10^-2; k’₂ = 1.6 脳 10^-2; k’₁ = 1.7 脳 10^-1, all in moles 1.^-1 sec.^-1 Kinetic results point to nucleophilic attack by G^– on II, the product being the 1,4-isomer, in contrast to the 1,5-isomer obtained in acidic media, which also causes a different reaction mechanism. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Name: 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Name: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Optimized one-step synthesis and characterization of 1-methyl-4,5-dinitro-1H-imidazole was written by Luo, Jin;Liu, Yu-Cun;Liu, Yan;Chai, Tao. And the article was included in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2017.Recommanded Product: 1-Methyl-4-nitroimidazole This article mentions the following:

Highly pure 1-methyl-4,5-dinitro-1H-imidazole was obtained from N-methylimidazole in 79% yield. The process was optimized with regard to nitrating mixture composition and the ratio of N-methylimidazole and nitrating mixture The effects of reaction temperature, time, and the rate of nitrating mixture addition were analyzed. The endothermic peak due to melting was obvious on the DSC curve at 75掳, decomposition started at about 250掳, and the main exothermic decomposition peak was at 278.5掳, which indicated that this compound has good thermal stability. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Recommanded Product: 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Recommanded Product: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Mechanisms of N-substitution in glyoxaline derivatives. I. Introduction, and study of prototropic equilibria involving 4(5)-nitroglyoxaline was written by Grimison, A.;Ridd, J. H.;Smith, B. V.. And the article was included in Journal of the Chemical Society in 1960.Application In Synthesis of 1-Methyl-4-nitroimidazole This article mentions the following:

The orientation of N-substitution in glyoxaline derivatives was discussed in terms of the reaction mechanism and the tautomeric equilibria involved. A spectrometric study of acid-base equilibria in aqueous solutions of 4(5)-nitroglyoxaline (I) and its N-Me derivatives was reported. The basicity of the 1,5-methyl derivative (II) was greater than that of I, but the basicity of the 1,4-isomer (III) was less; these results were related to the position of tautomeric equilibrium in the parent compound A small ionic strength correction was made to obtain the thermodynamic pK values as follows (compound, medium, form, 位 max in m渭, 10^-3蔚, and pK values given): I, 0.1M NaOH, conjugate base, 350, 10.19, -; I, buffer pH 4.7, neutral molecule, 297, 6.40, 9.30; I, 5M HClO₄, conjugate acid, 269, 7.04, -0.05; II, H₂O, neutral, 303, 8.37, -; II, M HClO₄, conjugate acid, 266, 6.42, 2.13; III, H₂O, neutral, 300, 7.27, -; III, 5M HClO₄, conjugate acid, 269, 7.16, -0.53. The following indicator values were obtained based on optical ds. at 300 and 310 m渭. The spectra of the neutral mols. and the conjugate acids used in these calculations were obtained in the above conditions. A small correction was applied to the spectrum of III in 5M HClO₄, because about 2% of the neutral molecule should then be present. The protonation of I and III in mineral acids gave the following values (molarity of acid and the log ([GH₂⁺]/[GH]) for I in HClO₄, in HCl, for III in HClO₄, in HCl given): 0.25, -0.63, -, -1.02, -; 0.50, -0.25, -, -0.69, -0.75; 0.75, -0.05, -, -0.40, -0.54; 1.0, 0.18, 0.02, -0.23, -0.40; 1.3, 0.30, 0.13, -0.04, -; 1.5, 0.44, 0.24, -, 0.09; 1.6, -, -, -0.12, -; 2.0, 0.74, 0.43, 0.34, 0.08; 2.5, 0.90, 0.67, 0.53, 0.25; 3.0, 1.20, -, 0.75, 0.40. The S脢2′ mechanism appeared to occur much more readily than the S脢2 mechanism for substitution in derivatives of glyoxaline. For substitution in a glyoxaline derivative, it was easy to show that the orientation depended on the mechanism involved. The neutral mol. of I existed in solution as an equilibrium mixture of 2 tautomeric forms, both of which could lose or add a proton to form the common conjugate acid and conjugate base. The pK was determined by plotting log ([GH₂+]/[GH])-log-[H⁺] against the molarity of the acid and extrapolating to zero concentration The linear extrapolation to obtain the pK was given in a figure. The basicity of the N-methylnitroglyoxalines was studied. III was a little less basic than I. The protonation was followed in the same way II was much more basic than I and the equilibrium was studied in buffer solutions The extent to which the protonation of substituted glyoxalines followed the acidity function H₀ was of interest because glyoxalines were very different in structure from the aniline derivatives used in estimating the H₀ scale. Some values were given above for I and III. From such comparisons it seemed that the protonation of I followed H₀ in HClO₄, but deviated appreciably from H₀ in HCl. In both acids the protonation of III increased more rapidly with acidity than did I. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Application In Synthesis of 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Application In Synthesis of 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Molecular-orbital and structural descriptors in theoretical investigation of electroreduction of nitrodiazoles was written by Kolaric, Branko;Juranic, Ivan;Dumanovic, Dragica. And the article was included in Journal of the Serbian Chemical Society in 2005.SDS of cas: 3034-41-1 This article mentions the following:

It is shown how a simple theor. approach can be used for the investigation of electro-organic reactions. Mononitroimidazoles and mononitropyrazoles were studied by the semiempirical MNDO-PM3 MO method. The electrochem. reduction potentials of diazoles have been correlated with the energy of the LUMO. It was found that an admirable correlation could be obtained by the introduction of simple structural descriptors as a correction to the energy of the LUMO. The interaction of a mol. with its surrounding depends on electrostatic potential and on steric hindrance. Most of these steric effects are taken into account using two parameters having a very limited set of integer values. The first (尾) is the position of a ring substituent regarding ring nitrogens, which accounts for the different orientations of dipole moments and for the different shape of the electrostatic potential. The second (structural) parameter (蟿) is the type of the ring, which accounts mostly for different modes of electrode approach, and for different charge polarization patterns in two diazole rings. The extended correlation with E_LUMO, 尾 and 蟿, is very good, having a regression coefficient r = 0.991. The intrinsic importance of 尾 and 蟿 is exemplified by their high statistical weight In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1SDS of cas: 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.SDS of cas: 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

AM1 and PM3 study of the protonation tautomerization and valence tautomerization of some 4-substituted imidazoles was written by Ogretir, Cemil;Yarligan, Selma. And the article was included in Journal of Molecular Structure: THEOCHEM in 1998.Related Products of 3034-41-1 This article mentions the following:

The gas-phase geometries, relative stabilities, ionization potentials and proton affinities of the different tautomers of some 4-substituted imidazoles and their N-Me derivatives were calculated with full geometry optimization. The predominance of the a (i.e. 1H-form) form with an electron-acceptor group at the 4-position over the b (i.e. 3H-form) form and the predominance of the b (i.e. 3H-form) form with an electron-donor group at the 4-position over the a (i.e. 1H-form) form were confirmed. A correlation between exptl. obtained acidity constants, pK_a, and calculated proton affinities was detected. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Related Products of 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Related Products of 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

EPR and polarography of nitro azoles. 2. Nitroimidazoles was written by Vakul’skaya, T. I.;Larina, L. I.;Nefedova, O. B.;Petukhov, L. P.;Voronkov, M. G.;Lopyrev, V. A.. And the article was included in Khimiya Geterotsiklicheskikh Soedinenii in 1979.Name: 1-Methyl-4-nitroimidazole This article mentions the following:

Polarog. half-wave potentials (E) were determined for I (R = H, Me, Et; R¹ = H, Me), II (R = Me, Et; R¹ = H, Me), and III (R = H, Me, Et), and ESR parameters were determined for the resulting anion radicals. When R in I, II, and III was H, dianion radicals were formed in a stepwise manner; when R was alkyl, monoanion radicals were formed. The magnitude of a^NO2 increased with increasing magnitude of E. In the dianion radicals >60% of the spin d. was concentrated on the NO₂ group; in the monoanion radicals this figure was 45-50%. The degree of spin d. transfer to the ring decreased in the order III > II > I. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Name: 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Name: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent was written by Maroz, Andrej;Shinde, Sujata S.;Franzblau, Scott G.;Ma, Zhenkun;Denny, William A.;Palmer, Brian D.;Anderson, Robert F.. And the article was included in Organic & Biomolecular Chemistry in 2010.Reference of 3034-41-1 This article mentions the following:

The one-electron reduction chem. of the antituberculosis drug PA-824, together with a series of closely related compounds, has been investigated in irradiated anaerobic propan-2-ol solution The protic solvent, of low dielec. constant, was chosen to mimic the environment of a water-restricting active site of a model protein, which is capable of reducing the compounds Radiolytic reduction of the compounds containing electron donating substituents in the 2-position of the imidazole ring released nitrite, with compounds that are highly active against Mycobacterium tuberculosis exhibiting high yields of nitrite. The release of cytotoxic reactive nitrogen species through a one-electron pathway, by as yet unidentified proteins, may play a role in the activity of this class of compounds against TB. The described radiolytic quantification of nitrite release may have utility as a preliminary screening test for nitroarom. candidate drugs against the disease. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Reference of 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Reference of 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem