Category: 54210-32-1

Dipole moment and tautomeric form of 3(5)-nitropyrazole in dioxane solution was written by Aksamentova, T. N.;Krivoruchka, I. G.;Elokhina, V. N.;Vokin, A. I.;Lopyrev, V. A.;Turchaninov, V. K.. And the article was included in Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) in 1999.Formula: C4H5N3O2 This article mentions the following:

The dipole moments of 3(5)-nitropyrazole, its Me-substituted derivatives, and H-complexes with dioxane were measured exptl. and estimated by ab initio calculations (6-31G^* basis set). Comparison of the exptl. and calculated dipole moments suggests a shift of the tautomeric equilibrium toward the 3-nitro isomer. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Formula: C4H5N3O2).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Formula: C4H5N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

A simple and environmentally benign nitration of pyrazoles by impregnated bismuth nitrate was written by Ravi, P.;Gore, Girish M.;Tewari, Surya P.;Sikder, Arun K.. And the article was included in Journal of Heterocyclic Chemistry in 2013.HPLC of Formula: 54210-32-1 This article mentions the following:

A facile, rapid, and environmentally friendly synthesis of nitropyrazoles in good yields was reported using silica-bismuth nitrate and silica-sulfuric acid-bismuth nitrate at room temperature The relatively non-toxic nature, ease of handling, easy availability, and low cost make the present procedure attractive for the nitration of a wide variety of diazoles in drug and pharmaceutical industries. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1HPLC of Formula: 54210-32-1).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. HPLC of Formula: 54210-32-1

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Experimental and theoretical spectroscopic and electronic properties enriched with NBO analysis for 1-methyl-3-nitropyrazole and 1-methyl-5-nitropyrazole was written by Regiec, Andrzej;Wojciechowski, Piotr;Mastalarz, Henryk. And the article was included in Journal of Molecular Structure in 2014.Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole This article mentions the following:

Both exptl. and calculated spectral and electronic properties of two isomers 1-methyl-3-nitropyrazole and 1-methyl-5-nitropyrazole have been demonstrated and discussed in details based on normal mode anal. The fully anharmonic IR spectra with calculated anharmonic intensities for fundamental bands, overtones and combination bands were also reported. The stability of title mols. arising from hyper conjugative interaction have been demonstrated using natural bond orbital (NBO) anal. Electron affinities clearly point that 1-methyl-5-nitropyrazole should be much more susceptible to reduction process than 1-methyl-3-nitropyrazole what has been exptl. confirmed by measurement of reduction potential. For 1-methyl-5-nitropyrazole, unambiguous assignment of values of proton and carbon chem. shifts to appropriate protons and carbons has been made thanks to full anal. of ¹H and ¹³C NMR spectra and two dimensional (2D) ¹H-¹H and ¹H-¹³C NMR COSY spectroscopy. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. As is the case with imidazoles, the pyrazole ring offers many opportunities to create new multiring systems that incorporate this heterocycle. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

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.Computed Properties of C4H5N3O2 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 (灏? 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 (锜? 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, 灏?and 锜? is very good, having a regression coefficient r = 0.991. The intrinsic importance of 灏?and 锜?is exemplified by their high statistical weight In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Computed Properties of C4H5N3O2).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. Pyrazole and its derivatives are considered a pharmacologically important active scaffold that possesses almost all types of pharmacological activities. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Computed Properties of C4H5N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Direct nitration of five membered heterocycles was written by Katritzky, Alan R.;Scriven, Eric F. V.;Majumder, Suman;Akhmedova, Rena G.;Akhmedov, Novruz G.;Vakulenko, Anatoliy V.. And the article was included in ARKIVOC (Gainesville, FL, United States) in 2005.Synthetic Route of C4H5N3O2 This article mentions the following:

Direct nitration of a variety of furans, pyrroles, thiophenes, pyrazoles, imidazoles, isoxazoles and thiazoles (17 compounds) with nitric acid/trifluoroacetic anhydride affords mononitro derivatives in average yield of 60%. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Synthetic Route of C4H5N3O2).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Synthetic Route of C4H5N3O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Oxidative stability, thermal hazard analysis, and decomposition kinetics of 1-methylimidazolium nitrate via DSC, TGA, and GC/MS was written by Volli, Vikranth;Lin, Wei-Cheng;Krishna, Gubbala Vinay Sai;Bhardwaj, Harsh;Shu, Chi-Min. And the article was included in Journal of Thermal Analysis and Calorimetry in 2019.HPLC of Formula: 54210-32-1 This article mentions the following:

Imidazolium-based ionic liquids are green solvents used as separation and electrolyte media in liquid-liquid extraction processes and electrochem. devices. However, they are volatile and flammable once they reach their thermal decomposition temperatures In the present study, the oxidative stability, decomposition, and combustion reaction of 1-methylimidazolium nitrate [Mim][NO₃] were investigated via thermogravimetric anal. (TG) and differential scanning calorimetry (DSC). TG anal. revealed a single-stage mass loss between 117.6 and 230.2 °C with oxidative onset temperatures in the range of 126.6-163.2 °C with the increase in heating rate (1.0, 2.0, 4.0, and 8.0 °C min^-1). DSC results indicated the degradation as exothermic with the average enthalpy of decomposition as 1610.4 J g^-1. The estimated average value of apparent activation energy using isoconversional methods such as Kissinger, FWO, and Friedman was in the range of 106.1-114.2 kJ mol^-1, and the reaction function (autocatalytic model) is expressed as: f(α) = (1 – α)^1.42 (0.017 + α^0.62) using multivariate nonlinear regression. The GC/MS anal. revealed the formation of methane isocyanate indicating the hazardous, toxic, corrosive, and carcinogenic nature of the decomposed gases. This research was aimed to develop a predictive model for oxidative degradation behavior and to provide the necessary basis for the design of precise safety systems. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1HPLC of Formula: 54210-32-1).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. Pyrazole has two ring nitrogen atoms in which N1 is pyrrolic and N2 is pyridine-like. The N1 nitrogen is not reactive but is deprotonated in the presence of a base-forming anion. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.HPLC of Formula: 54210-32-1

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Discovery of 2-arylamino-4-(1-methyl-3-isopropylsulfonyl-4-pyrazol-amino)pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors was written by Zhang, Peilong;Dong, Jiaqiang;Zhong, Boyu;Zhang, Deyi;Jin, Can;Meng, Xuejing;Sun, Desheng;Xu, Xiangyuan;Zhou, Yong;Liang, Zhi;Ji, Minghua;Li, Hailong;Xu, Tao;Song, Guowei;Zhang, Ling;Chen, Gang;Yuan, Hongbin;Shih, Joe;Zhang, Ruihao;Hou, Guojun;Jin, Ying;Yang, Qiong. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2015.Quality Control of 1-Methyl-3-nitro-1H-pyrazole This article mentions the following:

A new series of 2,4-diamino pyrimidine derivatives with a sulfone-substituted pyrazole right side-chain were discovered as potent anaplastic lymphoma kinase inhibitors. Structure-activity relationship of the left side-chain on Ph substitutions were explored which delivered many potent ALK inhibitors. Among them, I showed favorable pharmacokinetic profiles in rats and dogs together with significant antitumor efficacy in EML4-ALK fusion xenograft model. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Quality Control of 1-Methyl-3-nitro-1H-pyrazole).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) belongs to pyrazole derivatives. As is the case with imidazoles, the pyrazole ring offers many opportunities to create new multiring systems that incorporate this heterocycle. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.Quality Control of 1-Methyl-3-nitro-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics