Tag: M.W=0-100

HPLC of Formula: C5H8N2. Silva, VLM; Silva, AMS; Claramunt, RM; Lopez, C; Sanz, D; Infantes, L; Lopez, AM; Reviriego, F; Alkorta, I; Elguero, J in [Silva, Vera L. M.; Silva, Artur M. S.] Univ Aveiro, Chem Dept, P-3810193 Aveiro, Portugal; [Silva, Vera L. M.; Silva, Artur M. S.] Univ Aveiro, QOPNA, P-3810193 Aveiro, Portugal; [Claramunt, Rosa M.; Lopez, Concepcion; Sanz, Dionisia] UNED, Fac Ciencias, Dept Quim Organ & Bioorgan, Paseo Senda Rey 9, E-28040 Madrid, Spain; [Infantes, Lourdes; Martinez Lopez, Angela] CSIC, Dept Cristalog & Biol Estruct, Inst Quim Fis Rocasolano, Serrano 119, E-28006 Madrid, Spain; [Reviriego, Felipe; Alkorta, Ibon; Elguero, Jose] CSIC, Inst Quim Med, Juan Cierva 3, E-28006 Madrid, Spain; [Reviriego, Felipe] Inst Ciencia Tecnol Polimeros, Juan Cierva 3, E-28006 Madrid, Spain published A structural study of new tetrakis(1H-pyrazol-1-yl)methanes in 2019.0, Cited 33.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

Tetrakis(1H-pyrazol-l-yl)methanes are very rare compounds of which only two are known: the unsubstituted 1 obtained classically by Wicket in 1937 from carbon tetrachloride and prepared again several times and the 3,5-dimethyl substituted 2 obtained serendipitously by Pombeiro in 2009. We have now extended this group to include four new derivatives 8, 9,11 and 12 bearing methyl groups. The X-ray crystal structure of the four compounds has been determined. They have been studied by NMR both in solution (H-1, C-13, N-15) and in the solid state (C-13 and N-15). DFT calculations of the six compounds (geometries, energies and absolute shieldings) have been used to discuss the experimental observations. (C) 2019 Elsevier Ltd. All rights reserved.

HPLC of Formula: C5H8N2. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Silva, VLM; Silva, AMS; Claramunt, RM; Lopez, C; Sanz, D; Infantes, L; Lopez, AM; Reviriego, F; Alkorta, I; Elguero, J or concate me.

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

Recently I am researching about ANION-PI INTERACTIONS; X-RAY-STRUCTURE; CRYSTAL-STRUCTURE; SUPRAMOLECULAR ASSOCIATION; METAL-COMPLEXES; PYRIDINE-2,6-DICARBOXYLIC ACID; STRUCTURAL FEATURES; HOLE INTERACTION; HYDROGEN-BOND; CU(II), Saw an article supported by the University Grants Commission (UGC), New DelhiUniversity Grants Commission, India [42-377/2013]; ASTEC, DST, Govt. of Assam [ASTEC/S&T/206/2015-16/015]; MINECO/AEI of Spain (FEDER funds) [CTQ2017-85821-R]. COA of Formula: C5H8N2. Published in ELSEVIER in AMSTERDAM ,Authors: Das, A; Sharma, P; Frontera, A; Verma, AK; Barcelo-Oliver, M; Hussain, S; Bhattacharyy, MK. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole

Two new coordination compounds viz. [Ni(2,6-PDC)(Hdmpz)(H2O)(2)]center dot H2O (1) and [Zn(3-CNpy)(2)Cl-2] (2) (2,6-PDC = 2,6-pyridinedicarboxylate, Hdmpz = 3,5-dimethylpyrazole, 3-CNpy = 3-cyanopyridine) have been synthesized and characterized using elemental analysis, thermogravimetric analysis, electronic, infrared spectroscopy and single crystal X-ray diffraction techniques. Crystal structure analyses reveal the presence of supramolecular assemblies involving interesting dimers with unconventional contacts in the compounds. DFT (Density Functional Theory) calculations on the supramolecular dimers in the crystal structure of 1 reveal that the sum of contributions of anion-pi, pi-pi and other long range interactions due to the approximation of the bulk monomers is energetically significant. Molecular Electrostatic Potential (MEP) surface and Quantum Theory of Atoms in Molecules (QTAIM) analyses on the interesting supramolecular dimers of the crystal structures of 2 reveal the presence of unconventional anion center dot center dot center dot pi contacts involving coordinated chlorido ligands and C-H center dot center dot center dot pi(nitrile) interactions involving the pi-system of the nitrile moiety of 3-cyanopyridine. Remarkably, Atoms in Molecules analysis also confirms the existence of energetically significant unconventional anti-parallel nitrile center dot center dot center dot nitrile interaction in the crystal structure of 2. Cell cytotoxicity of the compounds performed in Dalton’s lymphoma (DL) malignant cancer cell line showed effective potency with negligible cytotoxicity in normal cells (similar to 12%). It is interesting that compound 1has excellent cytotoxic potency with IC50 closer to cisplatin and can bind different biological targets with similar signalling pathways. Structure activity relationship (SAR) analyses of 1 and 2 based on pharmacophore modelling reveal that the molecular features associated with the structures of the compounds play important role in the biological activities. (C) 2020 Elsevier B.V. All rights reserved.

COA of Formula: C5H8N2. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

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

Yu, Y; Yuan, Y; Liu, HL; He, M; Yang, MZ; Liu, P; Yu, BY; Dong, XC; Lei, AW in [Yu, Yi; Liu, Huilin; He, Min; Yang, Mingzhu; Liu, Pan; Yu, Banying; Dong, Xuanchi; Lei, Aiwen] Jiangxi Normal Univ, Natl Res Ctr Carbohydrate Synth, Nanchang 330022, Jiangxi, Peoples R China; [Yuan, Yong; Lei, Aiwen] Wuhan Univ, IAS, Coll Chem & Mol Sci, Wuhan 430072, Hubei, Peoples R China published Electrochemical oxidative C-H/N-H cross-coupling for C-N bond formation with hydrogen evolution in 2019.0, Cited 59.0. Product Details of 67-51-6. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery 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.

Product Details of 67-51-6. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

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

Quality Control of 3,5-Dimethyl-1H-pyrazole. Khan, E; Khalid, M; Gul, Z; Shahzad, A; Tahir, MN; Asif, HM; Asim, S; Braga, AAC in [Khan, Ezzat; Gul, Zarif] Univ Malakand, Dept Chem, Lower Dir 18800, Khyber Pakhtunk, Pakistan; [Shahzad, Adnan] Univ Swat, Inst Chem Sci, Khyber Pakhtunkhwa, Pakistan; [Tahir, Muhammad Nawaz] Univ Sargodha, Dept Phys, Punjab 40100, Pakistan; [Khalid, Muhammad; Asif, Hafiz Muhammad; Asim, Sumreen] Khwaja Farid Univ Engn & Informat Technol, Dept Chem, Rahim Yar Khan 64200, Pakistan; [Carmo Braga, Ataualpa Albert] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, Ave Prof Lineu Prestes 748, BR-05508000 Sao Paulo, Brazil published Molecular structure of 1,4-bis(substituted-carbonyl)benzene: A combined experimental and theoretical approach in 2020.0, Cited 68.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The reaction of pyrazole derivatives ( pyrazole (Pz), 3-methylpyrazole (MPz) and 3,5-dimethylpyrazole (DMPz)) with terephthaloyl dichloride (TD) in the presence of Et3N afforded the desired products, 1,4-bis(pyrazolylcarbonyl)benzene (1), 1,4-bis(3-methylpyrazolylcarbonyl)benzene (2) and 1,4-bis(3,5-dimethylpyrazolylcarbonyl)benzene (3). Good quality crystals were isolated and diffraction data for single crystal were collected which revealed that compounds 1-3 are monoclinic with space group P21/n, C2/c and P21/c, respectively. These compounds were obtained as a result of C-N coupling reaction between the acid chloride and pyrazol derivatives with the intent to explore their structure in solution as well as solid state. Density function theory (DFT) calculations using B3LYP and CAM-B3LYP functionals with 6-311G(d,p) basis set were performed to explore geometric and electronic properties of compounds. The Root Mean Square Error (RMSE) has also been calculated for the values of geometric parameters, indicating a good agreement with experimental findings. Moreover, frontier molecular orbitals (FMOs) and natural bond orbitals (NBOs) analyses were carried out through B3LYP/6-311G(d,p) level of theory. The linear polarizability (alpha) values of nonlinear optical (NLO) analysis were calculated with the same level of theory and basis set as FMO but under different solvent conditions. Time Dependent Density Functional Theory (TD-DFT) study of these pyrazole substituted derivatives was performed aiming to investigate UV-Visible behavior. The stability of molecule has been additionally analyzed by Hirshfeld surface analysis in addition to NBO analysis. The calculated HOMO and LUMO energies from FMO assisted in calculating global reactivity parameters (Chemical hardness, chemical softness, electronegativity, EA, IP and electrophilicity). Natural population analysis (NPA) and Molecular electrostatic potential (MEP) were also performed to obtain insights about the reactivity of compounds 1-3. Theoretical calculations indicate that these compounds have considerable low reactivity and can be used for development of coordination chemistry under optimum conditions. (c) 2019 Elsevier B.V. All rights reserved.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Khan, E; Khalid, M; Gul, Z; Shahzad, A; Tahir, MN; Asif, HM; Asim, S; Braga, AAC or concate me.. Quality Control of 3,5-Dimethyl-1H-pyrazole

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

Name: 3,5-Dimethyl-1H-pyrazole. In 2020.0 J MOL STRUCT published article about HIRSHFELD SURFACE-ANALYSIS; CU-II COMPLEXES; CRYSTAL-STRUCTURE; ACID-CHLORIDES; DFT; POLYMERS; ENERGY; MICROCAPSULES; POLYIMIDE; NBO in [Khan, Ezzat; Gul, Zarif] Univ Malakand, Dept Chem, Lower Dir 18800, Khyber Pakhtunk, Pakistan; [Shahzad, Adnan] Univ Swat, Inst Chem Sci, Khyber Pakhtunkhwa, Pakistan; [Tahir, Muhammad Nawaz] Univ Sargodha, Dept Phys, Punjab 40100, Pakistan; [Khalid, Muhammad; Asif, Hafiz Muhammad; Asim, Sumreen] Khwaja Farid Univ Engn & Informat Technol, Dept Chem, Rahim Yar Khan 64200, Pakistan; [Carmo Braga, Ataualpa Albert] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, Ave Prof Lineu Prestes 748, BR-05508000 Sao Paulo, Brazil in 2020.0, Cited 68.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

The reaction of pyrazole derivatives ( pyrazole (Pz), 3-methylpyrazole (MPz) and 3,5-dimethylpyrazole (DMPz)) with terephthaloyl dichloride (TD) in the presence of Et3N afforded the desired products, 1,4-bis(pyrazolylcarbonyl)benzene (1), 1,4-bis(3-methylpyrazolylcarbonyl)benzene (2) and 1,4-bis(3,5-dimethylpyrazolylcarbonyl)benzene (3). Good quality crystals were isolated and diffraction data for single crystal were collected which revealed that compounds 1-3 are monoclinic with space group P21/n, C2/c and P21/c, respectively. These compounds were obtained as a result of C-N coupling reaction between the acid chloride and pyrazol derivatives with the intent to explore their structure in solution as well as solid state. Density function theory (DFT) calculations using B3LYP and CAM-B3LYP functionals with 6-311G(d,p) basis set were performed to explore geometric and electronic properties of compounds. The Root Mean Square Error (RMSE) has also been calculated for the values of geometric parameters, indicating a good agreement with experimental findings. Moreover, frontier molecular orbitals (FMOs) and natural bond orbitals (NBOs) analyses were carried out through B3LYP/6-311G(d,p) level of theory. The linear polarizability (alpha) values of nonlinear optical (NLO) analysis were calculated with the same level of theory and basis set as FMO but under different solvent conditions. Time Dependent Density Functional Theory (TD-DFT) study of these pyrazole substituted derivatives was performed aiming to investigate UV-Visible behavior. The stability of molecule has been additionally analyzed by Hirshfeld surface analysis in addition to NBO analysis. The calculated HOMO and LUMO energies from FMO assisted in calculating global reactivity parameters (Chemical hardness, chemical softness, electronegativity, EA, IP and electrophilicity). Natural population analysis (NPA) and Molecular electrostatic potential (MEP) were also performed to obtain insights about the reactivity of compounds 1-3. Theoretical calculations indicate that these compounds have considerable low reactivity and can be used for development of coordination chemistry under optimum conditions. (c) 2019 Elsevier B.V. All rights reserved.

Name: 3,5-Dimethyl-1H-pyrazole. Welcome to talk about 67-51-6, If you have any questions, you can contact Khan, E; Khalid, M; Gul, Z; Shahzad, A; Tahir, MN; Asif, HM; Asim, S; Braga, AAC or send Email.

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

Recommanded Product: 67-51-6. Authors Meng, HF; Yang, F; Chen, MJ; Chen, C; Zhu, BL in ROYAL SOC CHEMISTRY published article about in [Meng, Haifang; Yang, Fang; Chen, Mengjia; Chen, Chen; Zhu, Bolin] Tianjin Normal Univ, Coll Chem, Tianjin Key Lab Struct & Performance Funct Mol, Tianjin 300387, Peoples R China in 2021.0, Cited 37.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

We have developed a Rh(iii)-catalyzed C-H alkenylation reaction of the N,N-bidentate chelating compound 2-(1H-pyrazol-1-yl)pyridine with alkenes via rollover cyclometalation. Mono- and dialkenyl-substituted 2-(1H-pyrazol-1-yl)pyridines could be selectively synthesized in moderate to good yields by tuning the reaction conditions. Further synthetic transformations were conducted to demonstrate the synthetic potential of our products.

Welcome to talk about 67-51-6, If you have any questions, you can contact Meng, HF; Yang, F; Chen, MJ; Chen, C; Zhu, BL or send Email.. Recommanded Product: 67-51-6

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

Formula: C5H8N2. In 2019.0 CRYST GROWTH DES published article about BOND; COMPLEXES in [Verma, Ashish; Tomar, Kapil; Bharadwaj, Parimal K.] Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India in 2019.0, Cited 36.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

A novel bispyrazole-based expanded cryptand was synthesized via Schiff base condensation reaction having an internal cavity of 160 angstrom(3) with a hydrophobic nature. The cryptand features electron-rich multiple pyrazole rings for enhanced weak noncovalent interactions with the guest molecules. The host-guest capabilities of the cryptand were investigated for encapsulation of the most inactive halogen bond donor molecules (having small sigma-hole size), namely, CH2Cl2, CHCl3, CCl4, C2HCl3, C2H4Cl2, and C2H4Br2. Analysis of crystal structures clearly revealed that halogen bonding (C-Cl/Br center dot center dot center dot pi (pyrazole)) and hydrogen bonding (C-H center dot center dot center dot pi(pyrazole)) interactions played a key role in stabilizing the halogenated guests inside the hydrophobic cavity of cryptand. At the same time, the cage is efficiently able to exclude hydrophilic solvent molecules, like, water and methanol, suggesting the hydrophobic nature of the cavity. Due to the comparably large sigma-hole in C2H4Br2, it showed the strongest halogen bonding interaction with the host cryptand, while weakest interaction was found for the CH2Cl2 guest which has the smallest size sigma-hole. Furthermore, the cryptand is able to adjust its central cavity according to the size of the guest. The biggest cavity size was found for the C2H4Br2 guest, while smallest size was found for the CH2Cl2 guest molecule. This study sheds more light on the interaction of halogenated solvents via halogen and hydrogen bonding, which is critical in understanding and controlling chemical reactions where solvent effects play an important role.

Welcome to talk about 67-51-6, If you have any questions, you can contact Verma, A; Tomar, K; Bharadwaj, PK or send Email.. Formula: C5H8N2

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

An article Pyrazole-chalcone derivatives as selective COX-2 inhibitors: design, virtual screening, and in vitro analysis WOS:000472968400011 published article about DRUG DISCOVERY; CARDIOVASCULAR SAFETY; BIOLOGICAL-ACTIVITIES; LIBRARIES; BIOAVAILABILITY; COMBINATORIAL; PREDICTION in [Macarini, Anelise F.; Rizzi, Gerusa W.; Correa, Rogerio] Univ Vale Itajai, Nucleo Invest Quim Farmaceut NIQFAR, Rua Uruguai 458, BR-88302901 Itajai, SC, Brazil; [Macarini, Anelise F.; Correa, Rogerio] Univ Vale Itajai UNIVALI, Programa Posgrad Ciencias Farmaceut, Rua Uruguai 458, BR-88302901 Itajai, SC, Brazil; [Sobrinho, Thales U. C.; Correa, Rogerio] Univ Vale Itajai, Curso Engn Quim, Escola Mar Ciencia & Tecnol, Rua Uruguai 458, BR-88302901 Itajai, SC, Brazil in 2019.0, Cited 49.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Formula: C5H8N2

In the process of research and development of new drugs, in silico analyzes are widely used. They address the pharmacokinetics of the molecules in study and can predict the binding mode and affinity, using a docking software. This approach can optimize the development of new drugs, reducing costs, time, and resources. In this study, a library of 300 pyrazole-chalcone derivatives were designed, the in silico ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties were evaluated, and a structure-based virtual screening was performed using AutoDock Vina. The docking results exhibited that the derivatives binding mode at the COX-2 active site is similar to celecoxib, the reference drug, and presented similar binding energy. Six compounds were synthetized and tested for in vitro inhibition of the COX-1 and COX-2 isoenzymes and the selectivity index (SI) was calculated. The compound 2a11 showed the best activity for COX-2 (IC50COX-2=0.73M) whereas the control, celecoxib, resulted IC50COX-2=0.88M. All the other compounds synthetized presented better potency for COX-2 inhibition than the control. Compound 2a23 exhibited the higher SI, of 280.17 (IC50COX-1=210.13M/ IC50COX-2=0.75M), while celecoxib was 246.88 (IC50COX-1=217.26M/ IC50COX-2=0.88M). These results corroborate with a possible anti-inflammatory activity and COX-2 selectivity of the new compounds synthetized.

Welcome to talk about 67-51-6, If you have any questions, you can contact Macarini, AF; Sobrinho, TUC; Rizzi, GW; Correa, R or send Email.. Formula: C5H8N2

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

Quality Control of 3,5-Dimethyl-1H-pyrazole. I found the field of Chemistry very interesting. Saw the article Self-assembly of a nonanuclear Ni-II cluster via atmospheric CO2 fixation: synthesis, structure, collision-induced dissociation mass spectrometry and magnetic property published in 2020, Reprint Addresses Sun, D (corresponding author), Shandong Univ, Sch Chem & Chem Engn, Jinan 250100, Peoples R China.; Sun, D (corresponding author), Shandong Univ, State Key Lab Crystal Mat, Jinan 250100, Peoples R China.; Sheng, K (corresponding author), Shandong Jiaotong Univ, Sch Aeronaut, Jinan 250037, Peoples R China.; Jagodic, M (corresponding author), Inst Math Phys & Mech, Jadranska 19, Ljubljana 1000, Slovenia.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole.

A novel nonanuclear nickel(ii) cluster identified as [Ni-9(OH)(6)(CO3)(2)(ba)(8)(Hdmpz)(6)(DMF)(2)]center dot EtOH center dot 2DMF (SD/Ni9a, Hba = benzoic acid, Hdmpz = 3,5-dimethyl-1H-pyrazole) is successfully constructed from mixed ligands. The single-crystal X-ray diffraction (SCXRD) structural analysis confirms the composition and reveals the drum-like inner core structure surrounded by ba(-)and DMF. Six Hdmpz ligands in their neutral form further sandwich the drum up and down, and is hydrogen bonded with two carbonate anions that are derived from the atmospheric CO2 with the help of Et3N. Electrospray ionization mass spectrometry (ESI-MS) reveals that the SD/Ni9a maintains an intact core in the solution with a slight exchange of outer ligands. Detailed collision-induced dissociation (CID) experiments reveal the collision energy (CE)-promoted ligand loss and exchange between ba(-) and Hdmpz. Furthermore, the magnetic study shows that there is no interaction between the Ni centers at room temperature, whereas the ferromagnetic coupling between the Ni centers is found with an S = 3 spin ground state of the cluster at low temperature. Moreover, the UV-vis spectrum and the photocurrent response measurements show its good optical properties with an indirect bandgap of about 2.35 eV and fast current response upon visible light irradiation.

Quality Control of 3,5-Dimethyl-1H-pyrazole. Bye, fridends, I hope you can learn more about C5H8N2, If you have any questions, you can browse other blog as well. See you lster.

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

Category: pyrazoles-derivatives. In 2020.0 ACS CATAL published article about CATALYZED N-ARYLATION; TOTAL-ENERGY CALCULATIONS; SINGLE-ATOM CATALYST; ARYL HALIDES; HETEROGENEOUS CATALYSIS; C-N; EFFICIENT; NITROGEN; LIGANDS; HYDROFORMYLATION in [Vorobyeva, Evgeniya; Gerken, Viktoria C.; Mitchell, Sharon; Klose, Daniel; Carreira, Erick M.; Perez-Ramirez, Javier] Swiss Fed Inst Technol, Dept Chem & Appl Biosci, CH-8093 Zurich, Switzerland; [Sabadell-Rendon, Albert; Ruiz-Ferrando, Andrea; Fako, Edvin; Ortuno, Manuel A.; Lopez, Nuria] Inst Chem Res Catalonia, Tarragona 43007, Spain; [Sabadell-Rendon, Albert; Ruiz-Ferrando, Andrea; Fako, Edvin; Ortuno, Manuel A.; Lopez, Nuria] Barcelona Inst Sci & Technol, Tarragona 43007, Spain; [Hauert, Roland] Empa, Swiss Fed Labs Mat Sci & Technol, CH-8600 Dubendorf, Switzerland; [Xi, Shibo; Borgna, Armando] ASTAR, Inst Chem & Engn Sci, Singapore 627833, Singapore; [Collins, Sean M.; Midgley, Paul A.] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB3 0FS, England; [Collins, Sean M.; Ramasse, Quentin M.] Univ Leeds, Sch Chem & Proc Engn, Leeds LS2 9JT, W Yorkshire, England; [Collins, Sean M.; Ramasse, Quentin M.] Univ Leeds, Sch Phys, Leeds LS2 9JT, W Yorkshire, England; [Kepaptsoglou, Demie M.; Ramasse, Quentin M.] SuperSTEM Lab, SciTech Daresbury Campus, Daresbury WA4 4AD, England; [Kepaptsoglou, Demie M.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England in 2020.0, Cited 74.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

We report the promoting effect of graphitic carbon nitride in Cu-catalyzed N-arylation. The abundance of pyridinic coordination sites in this host permits the adsorption of copper iodide from the reaction medium. The key to achieving high activity is to confine active Cu species on the surface, which is accomplished by introducing atomically dispersed metal dopants to block diffusion into the bulk of the carrier. The alternative route of incorporating metal during the synthesis of graphitic carbon nitride is ineffective as Cu is thermodynamically more stable in inactive subsurface positions. A combination of X-ray absorption, X-ray photoelectron, and electron paramagnetic resonance spectroscopy, density functional theory, and kinetic Monte Carlo simulations is employed to determine the location and associated geometry as well as the electronic structure of metal centers. N-Arylation activity correlates to the surface coverage by copper, which varies during the reaction due to an interplay between site formation via adsorption from the reaction medium and deactivation by diffusion into the bulk of the material, and is highest when an Fe dopant is used to hinder such movement through the lattice.

Category: pyrazoles-derivatives. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Vorobyeva, E; Gerken, VC; Mitchell, S; Sabadell-Rendon, A; Hauert, R; Xi, SB; Borgna, A; Klose, D; Collins, SM; Midgley, PA; Kepaptsoglou, DM; Ramasse, QM; Ruiz-Ferrando, A; Fako, E; Ortuno, MA; Lopez, N; Carreira, EM; Perez-Ramirez, J or concate me.

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