Day: October 28, 2021

Application In Synthesis of 3-Methyl-1-p-tolyl-5-pyrazolone. Liu, CF; Liu, M; Dong, L in [Liu, Chen-Fei; Liu, Man; Dong, Lin] Sichuan Univ, West China Sch Pharm, Educ Minist, Key Lab Drug Targeting & Drug Delivery Syst, Chengdu 610041, Sichuan, Peoples R China published Iridium(III)-Catalyzed Tandem Annulation Synthesis of Pyrazolo[1,2-alpha]cinnolines from Pyrazolones and Sulfoxonium Ylides in 2019, Cited 55. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0.

A highly efficient iridium-catalyzed cascade annulation of pyrazolones and sulfoxonium ylides to access various pyrazolo[1,2-alpha]cinnoline derivatives has been achieved. This novel approach expanded the application scope of coupling partners to ylides. The control experiments were performed to give insight into the mechanism of this reaction.

About 3-Methyl-1-p-tolyl-5-pyrazolone, If you have any questions, you can contact Liu, CF; Liu, M; Dong, L or concate me.. Application In Synthesis of 3-Methyl-1-p-tolyl-5-pyrazolone

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

An article 1,6-Aza-Michael addition of para-quinone methides with N-heterocycles catalyzed by Zn(OTf)(2): A regioselective approach to N-diarylmethyl-substituted heterocycles WOS:000546923400005 published article about ASYMMETRIC 1,6-CONJUGATE ADDITION; AZA-MICHAEL ADDITION; STEREOSELECTIVE-SYNTHESIS; COUPLING REACTIONS; EASY ACCESS; CARBAZOLES; 1,6-HYDROPHOSPHONYLATION; ADDITION/AROMATIZATION; 1,6-ADDITION; ALKYLATION in [Guin, Soumitra; Saha, Hemonta K.; Patel, Ashvani K.; Gudimella, Santosh K.; Biswas, Subhankar; Samanta, Sampak] Indian Inst Technol Indore, Discipline Chem, Simrol 453552, Madhya Pradesh, India in 2020.0, Cited 77.0. SDS of cas: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

An efficient Zn(OTf)(2)-catalyzed regioselective C-N bond making reaction between a bunch of aryl/heteroaryl-substituted para-quinone methides as ideal 1,6-acceptors and various aromatic/non-aromatic aza-heterocycles bearing N-H moiety namely carbazoles, pyrazoles, indazole, benzotriazole and saccharin is reported. This 1,6-aza-Michael technique delivers predominantly NI-diarylmethyl-substituted heterocyclic scaffolds bearing a valuable phenolic moiety in good to high yields with an excellent regioselectivity. Furthermore, this LUMO lowering catalytic system allows different kinds of useful functionalities and excels with broad substrates under mild conditions. Importantly, our control experiments suggested that N2-adducts of indazole, benzotriazole and 3-methyl pyrazole as minor isomers were progressively converted into N1-adducts during the reaction via a retro-aza-Michael reaction triggered by Zn(OTf)(2), offering excellent regioselectivities of the products. (C) 2020 Elsevier Ltd. All rights reserved.

SDS of cas: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Guin, S; Saha, HK; Patel, AK; Gudimella, SK; Biswas, S; Samanta, S or concate me.

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

Herrera-Castro, F; Torres, LA in [Herrera-Castro, Filiberto; Alfonso Torres, Luis] Ctr Invest & Estudios Avanzados, Dept Quim, Av IPN 2508, Ciudad De Mexico 07360, Mexico published Study of the solvation process of some pyrazole derivatives in three different solvents by solution calorimetry and IR spectroscopy: Unravelling solute-solvent interactions in 2020.0, Cited 20.0. Computed Properties of C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The study of the relationship between intermolecular interactions present in the solvation process and the magnitude of thermodynamic properties is extended from imidazole to pyrazole derivatives. The enthalpies of solution of pyrazole, 3,5-dimethylpyrazole and 3,4,5-trimethylpyrazole were calorimetrically determined in the solvents water, methanol and acetonitrile. The enthalpy of solution values for the three compounds in the three solvents are endothermic and spontaneous with an increase in entropy. As in the case with imidazole derivatives, the formation of a solution of pyrazole derivatives creates liquids that are more structured thermodynamically. The enthalpy of sublimation for 3,4,5-trimethylpyrazole, which is not available in the literature, was determined by the Knudsen effusion method. The combination of these thermodynamic properties has allowed the corresponding enthalpies of solvation to be obtained for the three pyrazole derivatives in the three selected solvents. With the use of the Pierotti equations and the enthalpies of solvation, the enthalpies of cavity formation were calculated along with the corresponding solute-solvent enthalpies of interaction. The infrared spectra and molecular volumes, as estimated through the electronic density, were used to obtain molecular insights into the solvation sensible sites within the studied solute molecules. The discussion of the solvation process and enthalpies of interaction of the pyrazole derivatives is based on the molecular structural features of solutes, specific intermolecular interactions and protic or aprotic nature of the solvents. The use of any empirical parameters in the discussion of the results was avoided. (C) 2020 Elsevier B.V. All rights reserved.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Herrera-Castro, F; Torres, LA or concate me.. Computed Properties of C5H8N2

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

An article Microwave-assisted pyrolysis of furfural residue in a continuously operated auger reactor: Characterization and analyses of condensates and non-condensable gases WOS:000496334500093 published article about LIGNOCELLULOSIC BIOMASS PYROLYSIS; CATALYTIC PYROLYSIS; SEWAGE-SLUDGE; GASIFICATION; COAL; COMBUSTION; WOOD; MECHANISMS; PRECURSORS; CELLULOSE in [Kang, Qinhao; Mao, Xiao; Siyal, Asif Ali; Liu, Yang; Ran, Chunmei; Deng, Zeyu; Fu, Jie; Ao, Wenya; Song, Yongmeng; Dai, Jianjun] Coll Chem Engn, Beijing, Peoples R China; [Kang, Qinhao; Mao, Xiao; Siyal, Asif Ali; Liu, Yang; Ran, Chunmei; Deng, Zeyu; Fu, Jie; Ao, Wenya; Song, Yongmeng; Dai, Jianjun] Beijing Univ Chem Technol, State Key Lab Organ Inorgan Composites, 15 Beisanhuan East Rd, Beijing 100029, Peoples R China in 2019.0, Cited 50.0. Recommanded Product: 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Microwave-assisted pyrolysis of furfural residue (FR) in an auger reactor was conducted. The biochar yield decreased and non-condensable gas yield increased with increasing temperature. Condensate yield reached maximum (i.e. 21.49 wt%) at 550 degrees C. Kaolin, CaO and K2CO3 enhanced tar secondary reactions, reduced the yield and O/C ratio of bio-oil, improved GC-MS areas of phenolic compounds to 76.25%, 89.28% and 93.1%, respectively. All additives improved yields of H-2 and CH4, while CaO reduced CO2. With increasing temperature, relative proportion (RP) of HCN/NH3 reached up to 13.67, while RP of H2S and chlorine in volatiles increased from 1.17%, 5.97% to 2.75%, 9.00%, respectively. Ammonia nitrogen in volatiles increased to 6.94% by K2CO3. Kaolin improved RP of HCN from 0.11% to 5.47%, while K2CO3 eliminated HCN. H2S increased with kaolin addition and decreased with CaO and K2CO3. Electricity consumption of MWAP varied from 0.5 to 3.78 (kWh/kg FR) depending on temperatures and additives. (C) 2019 Elsevier Ltd. All rights reserved.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Kang, QH; Mao, X; Siyal, AA; Liu, Y; Ran, CM; Deng, ZY; Fu, J; Ao, WY; Song, YM; Dai, JJ or concate me.. Recommanded Product: 67-51-6

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

Name: 3-Methyl-1-p-tolyl-5-pyrazolone. In 2021 CHEM-EUR J published article about ENANTIOSELECTIVE ADDITION; TERTIARY ALCOHOLS; PYRAZOLONE DERIVATIVES; ORGANOZINC REAGENTS; ALKYLZINC REAGENTS; ALPHA-KETOESTERS; KETONES; DIETHYLZINC; HYDROXYLATION; DIMETHYLZINC in [Wang, Rong-Hui; Li, Ya-Ling; He, Hong-Jiao; Xiao, You-Cai; Chen, Fen-Er] Sichuan Univ, Sichuan Res Ctr Drug Precis Ind Technol, West China Sch Pharm, Chengdu 610041, Peoples R China; [Chen, Fen-Er] Fudan Univ, Engn Ctr Catalysis & Synth Chiral Mol, Dept Chem, Shanghai 200433, Peoples R China; [Chen, Fen-Er] Shanghai Engn Ctr Ind Asymmetr Catalysis Chiral D, Shanghai 200433, Peoples R China in 2021, Cited 67. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0.

The catalytic enantioselective diorganozinc additions to cyclic diketones including pyrazolin-4,5-diones and isatins have been developed. In the presence of morpholine-containing chiral amino alcohol ligand, the corresponding chiral cyclic tertiary alcohols were produced in good to excellent yields (up to 97 %) and enantioselectivities (up to 95 % ee). The notable feature of this protocol includes its mild reaction conditions, Lewis acid additives free and broad functional group tolerance.

About 3-Methyl-1-p-tolyl-5-pyrazolone, If you have any questions, you can contact Wang, RH; Li, YL; He, HJ; Xiao, YC; Chen, FE or concate me.. Name: 3-Methyl-1-p-tolyl-5-pyrazolone

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

I found the field of Biochemistry & Molecular Biology; Biophysics; Chemistry; Computer Science very interesting. Saw the article Selected arylsulphonyl pyrazole derivatives as potential Chk1 kinase ligands-computational investigations published in 2020.0. COA of Formula: C5H8N2, Reprint Addresses Czaja, K (corresponding author), Poznan Univ Med Sci, Fac Pharm, Chair & Dept Organ Chem, Ul Grunwaldzka 6, PL-60780 Poznan, Poland.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

Protein kinases control diversity of biochemical processes in human organism. Checkpoint 1 kinase (Chk1) is an important element of the checkpoint signalling pathways and is responsible for DNA damage repair. Hence, this kinase plays an essential role in cancer cells survival and has become an important target for anticancer agents. Our previous investigations showed that some arylsulphonyl indazole derivatives displayed anticancer effect in vitro. In the present study, in order to verify possibility of interactions of pyrazole and indazole derivatives with Chk1, we focused on the docking of selected tosyl derivatives of indazole and condensed pyrazole 1-7 to the Chk1 pocket, analysis of interactions involving optimized ligand-protein system using DFT formalism, and estimation of the interaction enthalpy of the ligand-protein complex by applying the PM7 method. The estimation of binding affinity seems to indicate that the indazole 5-substituted with 3,5-dimethylpyrazole 4 and condensed pyrazoloquinoline derivative 7 fit the best to the Chk1-binding pocket. The values of the energy of interaction, i.e. the enthalpy change (Delta H-int), were between – 85.06 and – 124.04 kcal mol(-1) for the optimized ligand-Chk1 complexes. The relaxation of the ligands within the complexes azole-protein as well as the distribution of hydrogen contacts between the ligands and kinase pocket amino acids was also analysed using molecular dynamics as a supporting method. Presentation of methods used to describe the interactions between arylsulphonyl pyrazole derivatives and Chk1 kinase

COA of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Czaja, K; Kujawski, J; Kame, K; Bernard, MK or concate me.

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

An article Regioselectivity Switch in Palladium-Catalyzed Allenylic Cycloadditions of Allenic Esters: [4+1] or [4+3] Cycloaddition/Cross-Coupling WOS:000462622700046 published article about ASYMMETRIC-SYNTHESIS; SPIROPYRAZOLONES; ISOXAZOLINONES; DENDRALENES; ANNULATION; GENERATION; REACTIVITY; YLIDES in [Li, Long; Luo, Pengfei; Deng, Yuhua; Shao, Zhihui] Yunnan Univ, Key Lab Med Chem Nat Resource, State Key Lab Conservat & Utilizat Bioresources Y, Minist Educ,Sch Chem Sci & Technol, Kunming 650091, Yunnan, Peoples R China in 2019, Cited 65. Product Details of 86-92-0. The Name is 3-Methyl-1-p-tolyl-5-pyrazolone. Through research, I have a further understanding and discovery of 86-92-0

The first Pd-catalyzed asymmetric allenylic [4+1] cycloaddition was successfully developed. Alternatively, tuning the Pd catalyst switched the reactivity toward an unprecedented [4+3] cycloaddition/cross-coupling. Ligands play a vital role in controlling the reaction pathway, allowing highly selective access to different products from identical substrates. Biological evaluation of the obtained compounds led to the discovery of new antitumor targets. A possible mechanism is proposed, suggesting two interesting catalytic cycles for the cycloaddition with palladium-butadienyls. This study also demonstrated the potential and utility of allenic esters as 1,4-biselectrophiles and C-4 synthons for participating in cycloaddition reactions.

Product Details of 86-92-0. About 3-Methyl-1-p-tolyl-5-pyrazolone, If you have any questions, you can contact Li, L; Luo, PF; Deng, YH; Shao, ZH or concate me.

Reference:
Article; Zhang, Yong; Nie, Long-Jun; Luo, Liang; Mao, Jia-Xin; Liu, Jin-Xiang; Xu, Guo-Hai; Chen, Deliang; Luo, Hai-Qing; Tetrahedron; vol. 76; 7; (2020);,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Recently I am researching about METAL-FREE; FUNCTIONALIZATION; IMIDAZOHETEROCYCLES; DIFUNCTIONALIZATION; THIOCYANATION; SULFENYLATION; INHIBITORS; AMINATION; PYRIDINES; RADICALS, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21520102003, 21702081, 21702150]; Hubei Province Natural Science Foundation of ChinaNatural Science Foundation of Hubei Province [2017CFA010]; Jiangxi Provincial Education Department Foundation [GJJ160325]; Program of Introducing Talents of Discipline to Universities of China (111 Program). Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Yu, Y; Yuan, Y; Liu, HL; He, M; Yang, MZ; Liu, P; Yu, BY; Dong, XC; Lei, AW. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole. Product Details of 67-51-6

Under metal catalyst-free and exogenous-oxidant-free conditions, a series of C-3 aminated imidazo[1,2-a]pyridines were synthesized by electrochemical intermolecular oxidative C-H/N-H cross-coupling. Furthermore, by using a catalytic amount of ferrocene as the mediator, electrochemical intramolecular oxidative C-H/N-H cross-coupling for the synthesis of 10H-benzo[4,5] imidazo[1,2-a]indole derivatives has also been accomplished.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Yu, Y; Yuan, Y; Liu, HL; He, M; Yang, MZ; Liu, P; Yu, BY; Dong, XC; Lei, AW or concate me.. Product Details of 67-51-6

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

Category: pyrazoles-derivatives. Tomanova, M; Jedinak, L; Cankar, P in [Tomanova, Monika; Jedinak, Lukas; Cankar, Petr] Palacky Univ, Dept Organ Chem, 17 Listopadu 1192-12, Olomouc 77146, Czech Republic published Reductive dehalogenation and dehalogenative sulfonation of phenols and heteroaromatics with sodium sulfite in an aqueous medium in 2019.0, Cited 51.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Prototropic tautomerism was used as a tool for the reductive dehalogenation of (hetero) aryl bromides and iodides, or dehalogenative sulfonation of (hetero) aryl chlorides and fluorides, using sodium sulfite as the sole reagent in an aqueous medium. This protocol does not require a metal or phase transfer catalyst and avoids using organic solvent as the reaction medium. This method is especially suitable for substrates that readily tautomerize (such as 2-or 4-halogenated aminophenols and 4-halogenated resorcinols), for which dehalogenation or sulfonation proceeds under mild reaction conditions (<= 60 degrees C). As sodium sulfite is an inexpensive, safe, and environmentally less hazardous reagent, this method has at least three potential applications: (i) in the deprotection of halogens as protecting groups, using sodium sulfite as a reducing agent; (ii) in the sulfonation of aromatic halides under mild reaction conditions avoiding hazardous and corrosive reagents/ solvents; and (iii) in the transformation of toxic halogenated aromatics into less harmful compounds. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Tomanova, M; Jedinak, L; Cankar, P or concate me.. Category: pyrazoles-derivatives

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

Formula: C12H12N2O3. Authors Rodrigues, T; Helene, O in AMER PHYSICAL SOC published article about in [Rodrigues, Tulio; Helene, Otaviano] Univ Sao Paulo, Phys Inst, Expt Phys Dept, POB 66318, BR-05315970 Sao Paulo, Brazil in 2020, Cited 43. The Name is 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid. Through research, I have a further understanding and discovery of 83-10-3

This study provides a phenomenological method to describe the exponential growth, saturation, and decay of coronavirus disease 2019 (COVID-19) deaths and infections via a Monte Carlo approach. The calculations connect Gompertz-type trial distributions of infected people per day with the distribution of deaths adopting two gamma distributions to account for the elapsed time that encompass the incubation and symptom onset to death periods. The analyses include death data from the USA, Brazil, Mexico, the United Kingdom (UK), India, and Russia, which comprise the four countries with the highest number of deaths and the four countries with the highest number of confirmed cases, as of August 07, 2020, according to theWorld Health Organization webpage. The Gompertz functions were fitted to the data of weekly averaged confirmed deaths per day by mapping the chi(2) values. The uncertainties, variances, and covariances of the model parameters were calculated by propagation, taking into account the standard errors of the data for each epidemiological week. The fitted functions for the average deaths per day for the USA and India have an upward trend, with the former having a higher growth rate and quite huge uncertainties. For Mexico, the UK, and Russia, the fits are consistent with a downward-sloping pattern. For Brazil we found a subtle trend down but with significant uncertainties. The USA, UK, and India data showed first peaks with higher growth rates compared with the second ones (4.2, 2.2, and 3.5 times higher, respectively), demonstrating the benefits of nonpharmacological interventions of sanitary measures and social distance flattening the secondary peaks of the pandemic. For the case of the USA, however, a third peak seems quite plausible, most likely related with the recent relaxation policies. Brazil’s data are satisfactorily described by two highly overlapped Gompertz functions with similar growth rates, suggesting a two-step process for the pandemic spreading. For the cases of Mexico and Russia single peaks with smoother slopes fitted the data satisfactorily. The 95% confidence intervals for the total number of deaths (x10(3)) predicted by the model for August 31, 2020, are 160 to 220, 110 to 130, 59 to 62, 41.3 to 41.4, 54 to 63, and 16.0 to 16.7 for the USA, Brazil, Mexico, the UK, India, and Russia, respectively. Our estimates for the point prevalences of infections are compared with some preliminary data from serological studies and/or model calculations focused on the USA, Brazil, and UK scenarios. The point prevalences and 95% confidence intervals for August 1, 2020, were estimated to be 5.7 (3.9-7.5)%, 8.9 (7.4-10.3)%, 9.3 (8.3-10.3)%, 5.7 (4.5-6.9)%, 0.9 (0.8-1.0%), and 1.2 (1.0-1.3)% for the USA, Brazil, Mexico, the UK, India, and Russia, respectively. The method represents an effective few-parameter framework to estimate the line shape of the infection curves and the uncertainties of the relevant parameters based on the actual death data of a pandemic.

Formula: C12H12N2O3. About 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid, If you have any questions, you can contact Rodrigues, T; Helene, O or concate me.

Reference:
Patent; Shanghai Pharmaceutical Industry Institute; China Pharmaceutical Industry Zongyuan; Li Jianqi; Huang Daowei; Wang Wenya; Zhang Zhiguo; Jiang Ling; (45 pag.)CN107286140; (2017); A;,
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics