pyrazoles-derivatives

Crystal structure of hexakis(μ₂-chloro)-μ₄-oxo-tetrakis((3,5-dimethylpyrazole)copper(II)) ethanol tetrasolvate, Cu₄OCl₆(C₅H₈N₂)₄·4C₂H₅OH was written by Jacimovic, Zeljko K.;Leovac, Vukadin M.;Tomic, Zoran D.. And the article was included in Zeitschrift fuer Kristallographie – New Crystal Structures in 2007.COA of Formula: C6H9N3O This article mentions the following:

Crystallog. data and at. coordinates are given. In the tetranuclear copper(II) complex Cu₄OCl₆L₄ where L = 3,5-dimethylpyrazole, four copper atoms [separated by 3.070(2) – 3.198(3) Å] encapsulate central oxygen atom in a distorted tetrahedral arrangement, with the Cu-O bond lengths of 1.903(6) – 1.914(6) Å, and the Cu-O-Cu angles of 107.3(3) – 114.3(3)°. Between each pair of copper atoms, there is a bridging chlorine atom with Cu-Cl1 distances of 2.340(4) – 2.509(3) Å. Closer inspection of the Cu-Cl distances reveals grouping of values around every copper atom in two ‘short’ and one ‘long’ distances. Average values are 2.375 Å and 2.459 Å for eight short and six long Cu-Cl distances, resp. Copper coordination sphere is completed by the 3,5-dimethylpyrazole ligand with Cu-N distances of 1.952(7) – 1.957(9) Å. Coordination polyhedron can be described as a slightly distorted trigonal bipyramid where three chlorine atoms lie in the equatorial positions while the central oxygen and the pyridine nitrogen from pyrazolyl ligand are placed at the axial sites. The structure in general is analogous to the structures of previously described tetranuclear complexes of copper [Cu₄(O)(u-X)₆L₄], where L = ligand containing N, O or P donor and X is halogen. Direct contact between the tetranuclear units is achieved by the N-H… Cl hydrogen bonds. In the experiment, the researchers used many compounds, for example, 3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5COA of Formula: C6H9N3O).

3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5) 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. The presence of both electronegative nitrogen atoms in the pyrazole ring reduces the electron density of the C3- and C5-positions leaving electron density of C4-position unaltered. Thus the C4-position is vulnerable to electrophilic attack. The C3 electrophilic-position may undergo deprotonation in the presence of a strong base leading to ring opening.COA of Formula: C6H9N3O

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

The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist was written by Rimland, Joseph;Dunne, Angela;Hunjan, Suchete S.;Sasse, Rosemary;Uings, Iain;Montanari, Dino;Caivano, Matilde;Shah, Poonam;Standing, David;Gray, David;Brown, David;Cairns, William;Trump, Ryan;Smith, Paul W.;Bertheleme, Nicolas;D’Alessandro, Pier;Gul, Sheraz;Vimal, Mythily;Smith, David N.;Watson, Stephen P.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2010.SDS of cas: 3528-58-3 This article mentions the following:

The identification of novel, potent, non-steroidal/small mol. functional GR antagonist GSK1564023A (I) selective over PR is described. Associated structure-activity relationships and the process of optimization of an initial HTS hit are also described. In the experiment, the researchers used many compounds, for example, 1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3SDS of cas: 3528-58-3).

1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3) 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. 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. SDS of cas: 3528-58-3

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

New potential antitumor pyrazole derivatives: synthesis and cytotoxic evaluation was written by Nitulescu, George Mihai;Draghici, Constantin;Olaru, Octavian Tudorel. And the article was included in International Journal of Molecular Sciences in 2013.HPLC of Formula: 3528-58-3 This article mentions the following:

New pyrazole derivatives I (R¹ = Cl, CH₃; R² = H, CH₃; R³ = C₂H₅, C₆H₅; etc.) were designed and synthesized as potential protein kinase inhibitors in the view to develop specific antitumor therapies. The antitumor potential was estimated using wheat seeds and the general toxicity was evaluated by alternative methods, using invertebrate animals. One 3-aminopyrazole derivative II emerged as a potential candidate for the development of future cytotoxic compounds In the experiment, the researchers used many compounds, for example, 1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3HPLC of Formula: 3528-58-3).

1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. 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.HPLC of Formula: 3528-58-3

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

Volatile compounds formed by thermal degradation of ascidian tunic carotenoids was written by Choi, Byeong-Dae;Ho, Chi-Tang. And the article was included in Han’guk Nonghwa Hakhoechi in 1997.Electric Literature of C6H9N3O This article mentions the following:

As part of investigation for utilization of ascidian tunic carotenoids as a food color additives, the authors attempted to collect the volatile thermal degradation compounds from ascidian tunic carotenoids. Compounds were extracted by simultaneous distillation and extraction/concentration apparatus and analyzed by gas chromatog. and mass spectrometry. A total of 63 compounds were identified and some of them arose by thermal degradation They included 1,3,5-trimethylbenzene, 3,5,5-trimethyl-3-cyclohexen-1-ol, 3,5,5-trimethyl-3-cyclohexen-1-one, 1,1,2,3-tetramethyl-2-cyclohexen-5-ol, 1,1,2,3-tetramethyl-2-cyclohexen-5-one, 2,3,4,4-tetramethyl-6-hydroxy-2-cyclohexene-1-one, 1,2,3,8-tetrahydro-3,3,6-trimethyl-1-naphthol, dihydroacetinidolide, β-ionone, 2-(1,1,5-trimethyl-3-hydroxy-5-cyclohexen-6-yl)-1-tolylethene, and 2,6-dimethyl-8-(1,1,5-trimethyl-3-hydroxy-5-cyclohexen-6-yl)-1,3,5-octatriene-7-yne. Proposed mechanisms of formation of some compounds as thermal degradation products of ascidian tunic carotenoids are provided. In the experiment, the researchers used many compounds, for example, 3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5Electric Literature of C6H9N3O).

3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5) belongs to pyrazole derivatives. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Pyrazole rings have been used as core components of several leading non-steroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs. It has also been found to be useful as a bifunctional ligand for metal catalysis.Electric Literature of C6H9N3O

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

N,N-dimethylformamide catalyzed electrophilic/nucleophilic chlorination of pyrazoles was written by Liu, Yuanyuan;Li, Yi;Zhang, Zhenglin;Xu, Guanghui;Li, Jie;Gao, Shang. And the article was included in Nanjing Gongye Daxue Xuebao, Ziran Kexueban in 2014.Category: pyrazoles-derivatives This article mentions the following:

With N,N-Dimethylformamide (DMF) as a catalyst, 1-phenyl-5-(p-tolyl)-1H-pyrazol-3-ol (1a) was heated to reflux in thionyl chloride (SOCl₂) and 4-chloro-1-phenyl-5-(p-tolyl)-1H-pyrazol-3-ol (2a) was obtained in the yield of 83%. High performance liquid chromatog. (HPLC) anal. of the reaction mixture revealed that the optimized conditions were n(1a) : n(DMF) of 10:1, and refluxing in SOCl₂ for 4 h. During the column chromatog. purification, elemental sulfur was isolated. The DMF-catalyzed electrophilic/nucleophilic chlorination mechanism was proposed, and pyrazole substrates 1b-1h were prepared to explore the scope of the mechanism. The structures of chlorinated products 2b-2h were characterized by NMR hydrogen spectrum (¹H NMR), NMR carbon spectrum (¹³C NMR), and elemental anal. The structure of 2d was also determined by single-crystal X-ray diffraction anal. This chlorination reaction was simple to be operated and had good functionality tolerance. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8Category: pyrazoles-derivatives).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) 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.Category: pyrazoles-derivatives

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

Chan-Lam cross-coupling reactions promoted by anionic copper(I)/iodide species with cationic methyl-((pyridinyl)-pyrazolyl)pyridin-1-ium was written by Xue, Jiang-Yan;Li, Jun-Chi;Li, Hong-Xi;Li, Hai-Yan;Lang, Jian-Ping. And the article was included in Tetrahedron in 2016.HPLC of Formula: 45887-08-9 This article mentions the following:

Four anionic ligands including 1-methyl-3(or 4)-(1-(pyridin-2-yl)-1H-pyrazol-3-yl)pyridin-1-ium iodide ([3,2′-pypzpym]I, [4,2′-pypzpym]I) and 1-methyl-3(or 4)-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)pyridin-1-ium iodide ([2,3′-pypzpym]I, [2,4′-pypzpym]I) were prepared Reaction of CuI with [3,2′-pypzpym]I afforded a mononuclear complex [CuI₂(3,2′-pypzpym)] and a one-dimensional coordination polymer [(Cu₄I₆)(3,2′-pypzpym)₂]_n. Analogous reactions of CuI with [4,2′-pypzpym]I, [2,3′-pypzpym]I or [2,4′-pypzpym]I yield [Cu₄I₆(4,2′-pypzpym)₂], [CuI₂(2,3′-pypzpym)] and [CuI₂(2,4′-pypzpym)], resp. Relative to that of CuI, complexes exhibited enhanced catalytic activities towards the Chan-Lam cross-coupling reactions of imidazoles and arylboronic acids in a H₂O-MeCN (volume/volume=2:1). This catalytic system was involved in the C-N cross-coupling reaction and works for a variety of imidazole derivatives as well as arylboronic acids with different electronic properties. In the experiment, the researchers used many compounds, for example, 3-(1H-Pyrazol-3-yl)pyridine (cas: 45887-08-9HPLC of Formula: 45887-08-9).

3-(1H-Pyrazol-3-yl)pyridine (cas: 45887-08-9) belongs to pyrazole derivatives. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. 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: 45887-08-9

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

4-(3-Nitrophenylazo)-5-trifluoromethyl-2,4-dihydropyrazol-3-one was written by Zohdi, Hussein;Rateb, Nora M.;Haikal, A. Z.. And the article was included in Molecules [online computer file] in 2001.COA of Formula: C4H3F3N2O This article mentions the following:

4-(3-Nitrophenylazo)-5-trifluoromethyl-2,4-dihydropyrazol-3-one (I) was synthesized by adding 5 mmol of 3-nitrobenzenediazonium chloride dropwise to a cold solution of 5-trifluoromethyl-2,4-dihydropyrazol-3-one (0.76 g, 5 mmol) in 25 mL of ethanol containing sodium acetate (0.82 g, 10 mol). The reaction mixture was stirred at room temperature for 3 h and the precipitated crude product was filtered, washed with water, dried and crystallized from ethanol to give 1.2 g (80%) of I as orange crystals. In the experiment, the researchers used many compounds, for example, 3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one (cas: 401-73-0COA of Formula: C4H3F3N2O).

3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one (cas: 401-73-0) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. 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.COA of Formula: C4H3F3N2O

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

Study on effect of fungal-fermentation process on flavor quality in white tea was written by Liu, Fei;Xue, Zhihui;Ye, Qianlin;Sun, Weijiang. And the article was included in Chaye Kexue in 2016.Category: pyrazoles-derivatives This article mentions the following:

Baimudan and Shoumei were utilized to study the effect of fungal-fermentation process on flavor quality. Sensory evaluation found new flavors in white tea after fermentation The quality of Shoumei was improved significantly after fermentation The aroma of white tea changed from clean and fresh to pure and mellow during fermentation, which was due to the decrease of fresh odorants and increase of aged fragrant. The taste changed from astringent and harsh to aged and soft, which was attributing to the decrease of esters-catechins by 2.3 and 0.69 percent, resp., and theaflavin by 33% and 43% in Baimudan and Shoumei, resp. The taste of fermented Baimudan was a little bitter because caffeine increased significantly. The ratio of essential amino acids to nonessential amino acids increased from 36.10% to 39.84% in Baimudan and 42.16% to 62.32% in Shoumei. Therefore, fungal fermentation could largely improve the value of low or middle-grade white tea. In summary, the impacts of fungal fermentation on quality of Shoumei were larger than that of Baimudan, which was of great significance to improve the quality of low grade white tea. In the experiment, the researchers used many compounds, for example, 1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3Category: pyrazoles-derivatives).

1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3) 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. 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.Category: pyrazoles-derivatives

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

Oxidative transformation of N-substituted 3-aminopyrazoles to azopyrazoles using electrogenerated bromine as a mediator was written by Lyalin, B. V.;Sigacheva, V. L.;Kokorekin, V. A.;Dutova, T. Ya.;Rodionov, G. M.;Petrosyan, V. A.. And the article was included in Russian Chemical Bulletin in 2018.Computed Properties of C5H9N3 This article mentions the following:

The one-pot process of anodic transformation of N-alkyl-3-aminopyrazoles into azopyrazoles I [R¹ = H, Me, Et; R² = H, Me; R³ = Br, Me] under conditions of membraneless electrolysis in an aqueous solution of NaBr was studied for the first time. It was found that under these conditions the aminopyrazoles, which do not have a substituent at position 4, transform into the corresponding 4,4′-dibromoazopyrazoles. The corresponding yield was in the interval of 28-80%, depending on the structure of the products. The transformation of 4-substituted aminopyrazoles resulted in the formation of azopyrazoles in the yields lying within 62-86% when this process was implemented under conditions with the anodically generated Br₂ acting as a mediator. A convenient method of anodic synthesis of azopyrazoles in an aqueous medium without the use of additives of chem. oxidants was proposed. The process was environmentally sound and was characterized by a high atom efficiency (>85%). In the experiment, the researchers used many compounds, for example, 1-Ethyl-1H-pyrazol-3-amine (cas: 55361-49-4Computed Properties of C5H9N3).

1-Ethyl-1H-pyrazol-3-amine (cas: 55361-49-4) 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. 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.Computed Properties of C5H9N3

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