Category: 67-51-6

An article Pyrazole Compounds : Synthesis, molecular structure, chemical reactivity, experimental and theoretical DFT FTIR spectra WOS:000468613900060 published article about DENSITY-FUNCTIONAL THEORY; HARMONIC VIBRATIONAL FREQUENCIES; MILD-STEEL CORROSION; N-DONOR LIGANDS; TRIPODAL LIGAND; HARTREE-FOCK; DERIVATIVES; PERFORMANCE; INHIBITION; COMPLEXES in [Kaddouri, Y.; Abrigach, F.; El Kodadi, M.; Touzani, R.] Mohammed First Univ, Lab Appl & Environm Chem, Oujda, Morocco; [Mechbal, N.; Karzazi, Y.; Aouniti, A.] Mohammed First Univ, Lab Appl Analyt Chem Mat & Environm, Oujda, Morocco; [El Kodadi, M.] Ctr Reg Metiers Educ & Format Oujda, CRMEF Oriental, Oujda, Morocco in 2019.0, Cited 56.0. COA of Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Eight Pyrazole ligands which are prepared by condensation of different amines with Pyrazole and 3,5-dimethylpyrazole, then characterized using FTIR. This analysis was recorded using KBr pellets on FTIR-8400S spectrometer, and then the spectra are compared with the ones calculated by the Density Functional Theory (DFT) calculations with GAUSSIAN 09W suite. Experimental and calculated vibrational spectra demonstrate a good correlation with some difference in % T and frequency (cm(-1)) shown in the theoretical spectra due to the presence of all predicted vibrational modes. The optimized structure, HOMO, LUMO orbitals and some other quantum descriptors were also determined to reveal their chemical reactivity properties. The similarities and the differences between the theoretical and the experimental vibrational analysis of all the prepared ligands have been highlighted. The calculated FTIR spectra by DFT shows perfect agreement with the experimental ones and generated positive value of vibrations indicate calculations are at the global minima. (c) 2019 Elsevier Ltd. All rights reserved.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Kaddouri, Y; Abrigach, F; Mechbal, N; Karzazi, Y; El Kodadi, M; Aouniti, A; Touzani, R or concate me.. COA of Formula: C5H8N2

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

Basal, NK; Sonawane, RB; Jagtap, SV in [Basal, Nishant K.; Sonawane, Rahul B.; Jagtap, Sangeeta, V] Savitribai Phule Pune Univ, Baburaoji Gholap Coll, Dept Chem, Pune 411017, Maharashtra, India published Potential 2,4-dimethyl-1H-pyrrole-3-carboxamide bearing benzimidazole template: Design, synthesis, in vitro anticancer and in silico ADME study in 2020.0, Cited 26.0. HPLC of Formula: C5H8N2. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6.

A new series of 2,4-dimethyl-1H-pyrrole-3-carboxamide derivatives bearing benzimidazole moiety was synthesized through a molecular hybridization approach and evaluated for in vitro anticancer activity by NCI-60 on leukemia, melanoma, lung, colon, CNS, ovarian, renal, prostate and breast cancer cell lines at a single dose (10 mu M). Among all the synthesized conjugates, some derivatives showed more or less good activity even at such a small dose, while, compound 5-(1H-benzo[d]imidazol-2-yl) N (1-cyclohexylethyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide (80 displayed significant antiproliferative activity specifically against MDA-MB human cancer cell lines. Compound 8f showed promising activity against MDA-MB-435 cell line of melanoma (Growth inhibition: 62.46%) and MDA-MB-468 cell line of breast (Growth inhibition: 40.24%). Computational ADME study qualified its significant physicochemical, pharmacokinetic and drug-likeness properties with good predicted oral bioavailability. Thus this new hybrid molecules would be useful for further anticancer drug development.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Basal, NK; Sonawane, RB; Jagtap, SV or concate me.. HPLC of Formula: C5H8N2

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

Authors Vermaak, V; Vosloo, HCM; Swarts, AJ in WILEY-V C H VERLAG GMBH published article about CATALYZED TRANSFER HYDROGENATION; ASYMMETRIC HYDROGENATION; SODIUM-BOROHYDRIDE; MILD; DEHYDROGENATION; SEMIHYDROGENATION; REACTIVITY; ALKYNES; HETEROCYCLES; ALKYLATION in [Vermaak, Vincent; Vosloo, Hermanus C. M.; Swarts, Andrew J.] North West Univ, Res Focus Area Chem Resource Beneficiat, Catalysis & Synth Res Grp, 11 Hofmann St, ZA-2520 Potchefstroom, South Africa in 2020.0, Cited 42.0. Name: 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Herein we report the first Ni(II)-catalysed transfer hydrogenation of quinolines using ammonia borane (AB) as hydrogen (H-2) source. An in situ generated Ni(II)-bis(pyrazolyl)pyridine pre-catalyst could hydrogenate quinoline and its derivatives in excellent yields of up to 90% at 25 degrees C in 30 minutes. Spectroscopic studies revealed that a Ni(II)-hydride is responsible for the transfer hydrogenation of quinoline to 1,2,3,4-tetrahydroquinoline via a 1,4-dihydroquinoline intermediate.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Vermaak, V; Vosloo, HCM; Swarts, AJ or concate me.. Name: 3,5-Dimethyl-1H-pyrazole

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

An article Enantioselective N-Alkylation of Indoles via an Intermolecular Aza-Wacker-Type Reaction WOS:000470939200002 published article about HECK ARYLATIONS; ALLYLIC ALKYLATION; ALKALOIDS; ALKENES; CASCADE; FUNCTIONALIZATION; NUCLEOPALLADATION; HETEROCYCLES; ACTIVATION; AMIDATION in [Allen, Jamie R.; Bahamonde, Ana; Furukawa, Yukino; Sigman, Matthew S.] Univ Utah, Dept Chem, 315 S 1400 E, Salt Lake City, UT 84112 USA in 2019.0, Cited 41.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6. Safety of 3,5-Dimethyl-1H-pyrazole

The development of an intermolecular and enantioselective aza-Wacker reaction is described. Using indoles as the N-source and a selection of alkenols as the coupling partners selective beta-hydride elimination toward the alcohol was achieved. This strategy preserves the newly formed stereocenter by preventing the formation of traditionally observed enamine products. Allylic and homoallylic alcohols with a variety of functional groups are compatible with the reaction in high enantioselectivity. Isotopic-labeling experiments support a syn aminopalladation mechanism for this new class of aza-Wacker reactions.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Allen, JR; Bahamonde, A; Furukawa, Y; Sigman, MS or concate me.. Safety of 3,5-Dimethyl-1H-pyrazole

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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 Molecular structure of 1,4-bis(substituted-carbonyl)benzene: A combined experimental and theoretical approach published in 2020.0, Reprint Addresses Khan, E (corresponding author), Univ Malakand, Dept Chem, Lower Dir 18800, Khyber Pakhtunk, Pakistan.; Khalid, M (corresponding author), Khwaja Farid Univ Engn & Informat Technol, Dept Chem, Rahim Yar Khan 64200, Pakistan.. The CAS is 67-51-6. Through research, I have a further understanding and discovery of 3,5-Dimethyl-1H-pyrazole.

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.

Quality Control of 3,5-Dimethyl-1H-pyrazole. 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.

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

SDS of cas: 67-51-6. Authors Horiuchi, S; Tanaka, S; Moon, S; Sakuda, E; Ito, A; Arikawa, Y; Umakoshi, K in AMER CHEMICAL SOC published article about in [Horiuchi, Shinnosuke; Tanaka, Seiya; Moon, Sangjoon; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke] Nagasaki Univ, Grad Sch Engn, Div Chem & Mat Sci, Nagasaki 8528521, Japan; [Ito, Akitaka] Kochi Univ Technol, Grad Sch Engn, Kami, Kochi 7821502, Japan in 2021.0, Cited 52.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

The synthesis and photophysical properties of the heteropolynuclear Pt-Ag complex having cyclometalated rollover bipyridine ligands (bpy*) and bridging pyrazolato ligands are reported. The Pt2Ag2 complex was synthesized by two step reactions from a Pt(II) complex precursor having the rollover bpy* ligand, [Pt(bpy*)(dmso)Cl], with 3,5-dimethylpyrazole (Me(2)pzH) and a subsequent replacement of NH protons in the Me(2)pzH moieties with the Ag(I) ion. The Pt2Ag2 complex exists as a mixture of U- and Z-shaped isomers in solution, whose structures were clearly determined by single-crystal X-ray structural analyses. NMR studies using the single crystals revealed rapid isomerization of the Pt2Ag2 complexes in solution, although the Pt2Ag2 structures were supported effectively by the multiple metal-metal interactions. Furthermore, the Pt2Ag2 framework can capture a Ag(I) ion during the U-Z isomerization to afford a Pt2Ag3 core with the formation of Pt. Ag dative bonds. The Pt2Ag3 complex showed further aggregation to form a dimer structure in the presence of coordinating solvent via the crystallization process. The formation of Pt. Ag dative bonds significantly changes the emission energy from the Pt2Ag2 complex, while the emission spectra of U- and Z-isomers of Pt2Ag2 complex almost coincide with each other and their emissive properties are very similar. The density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations revealed the effects of additional Ag(I) ion on the photophysical properties of the heteropolynuclear Pt-Ag complexes bearing the rollover bpy* ligands.

SDS of cas: 67-51-6. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Horiuchi, S; Tanaka, S; Moon, S; Sakuda, E; Ito, A; Arikawa, Y; Umakoshi, K or concate me.

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

An article Design, Synthesis, and Application of NNN Pincer Ligands Possessing a Remote Hydroxyl Group for Ruthenium-Catalyzed Transfer Hydrogenation of Ketones WOS:000459948500010 published article about ASYMMETRIC TRANSFER HYDROGENATION; PYRAZOLYL-IMIDAZOLYL LIGAND; COMPLEXES; ALCOHOLS; ESTERS; DEHYDROGENATION; MECHANISM; BEARING in [Cao, Zhengqiang; Qiao, Hong; Zeng, Fanlong] Northwest Univ, Natl Demonstrat Ctr Expt Chem Educ, Key Lab Synthet & Nat Funct Mol Chem, Minist Educ,Coll Chem & Mat Sci, 1 Xuefu Rd, Xian 710127, Shaanxi, Peoples R China 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. Recommanded Product: 3,5-Dimethyl-1H-pyrazole

A new family of pyridyl-based NNN pincer ligands bearing a remote pendent OH group were developed. Considerable acceleration effects on the activity of Ru-catalyzed transfer hydrogenation of ketones were imparted by the pendent OH group, and importantly, introducing a CH2OH group to the 4′-position of the pyrazolyl moiety is an appropriate choice. The results present a general strategy for exploring bifunctional ligands to construct effective catalysts.

Recommanded Product: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Cao, ZQ; Qiao, H; Zeng, FL or concate me.

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

Authors Soliman, SM; El-Faham, A; El Silk, SE in WILEY published article about CRYSTAL-STRUCTURES; COPPER(II)-ASSISTED HYDROLYSIS; CARBONYL-COMPLEXES; RHODIUM COMPLEXES; 2,4,6-TRIS(2-PYRIDYL)-1,3,5-TRIAZINE; COPPER; 2,4,6-TRIS(2-PYRIMIDYL)-1,3,5-TRIAZINES; RUTHENIUM(II); FUNCTIONALS; MONONUCLEAR in [Soliman, Saied M.; El-Faham, Ayman] Alexandria Univ, Fac Sci, Dept Chem, POB 426, Alexandria 21321, Egypt; [El-Faham, Ayman] King Saud Univ, Coll Sci, Dept Chem, POB 2455, Riyadh 11451, Saudi Arabia; [El Silk, Sobhy E.] Tanta Univ, Fac Sci, Bot Dept, Bacteriol Unit, Tanta 31527, Egypt in 2020.0, Cited 70.0. Name: 3,5-Dimethyl-1H-pyrazole. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Two unexpected one-dimensional coordination polymers, [Cu(PT)(H2O)Cl](n) 1 and [Cu-2(BPT)(ClO4)(3)(H2O)(4)](n)center dot 2nH(2)O 2, of symmetrical triazine-based ligands were synthesized by Cu(II)-mediated hydrolysis of the 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (MBPT) pincer ligand. The reaction of Cu(ClO4)(2)center dot 6H(2)O with MBPT proceeded via hydrolysis of the methoxy group to produce the dicompartmental 4,6-bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazin-2(1H)-one ligand (HBPT) that then undergoes in situ complexation with Cu(II) to afford 2. In case of CuCl2, the reaction proceeds further with C-N cleavage of one pyrazolyl unit leading to the formation of 6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine-2,4(1H,3H)-dione ligand (HPT) that also undergoes in situ complexation with Cu(II) affording 1. The role of Cu(II) is to increase the Lewis acid reactivity of the water molecule where similar hydrolytic reactions for MBPT were observed in acidic medium in presence of an aqueous HCl (1:1 v/v) solution. The molecular and supramolecular structures of complexes 1 and 2 were investigated using X-ray diffraction of single crystal, Hirshfeld analysis, and density functional theory calculations. The Cl center dot center dot center dot H (11.7%) and O center dot center dot center dot H (24.7%) contacts are the most important in 1, whereas the molecular packing of 2 is controlled mainly by the O center dot center dot center dot H (58.7%) hydrogen bonds. Complex 2 showed better activity against Escherichia coli, Bacillus subtilis, and Candida albicans compared with the standard antibiotics amoxicillin, tetracycline, and ampicillin. In general, complexes 1 and 2 showed good antimicrobial activity than these antibiotics and have the advantage to be used as both antibacterial and antifungal agents.

Name: 3,5-Dimethyl-1H-pyrazole. About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Soliman, SM; El-Faham, A; El Silk, SE or concate me.

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

HPLC of Formula: C5H8N2. Authors Horiuchi, S; Moon, S; Ito, A; Tessarolo, J; Sakuda, E; Arikawa, Y; Clever, GH; Umakoshi, K in WILEY-V C H VERLAG GMBH published article about in [Horiuchi, Shinnosuke; Moon, Sangjoon; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke] Nagasaki Univ, Div Chem & Mat Sci, Grad Sch Engn, 1-14 Bunkyo Machi, Nagasaki 8528521, Japan; [Ito, Akitaka] Kochi Univ Technol, Sch Environm Sci & Engn, Grad Sch Engn, 185 Miyanokuchi, Kochi 7828502, Japan; [Horiuchi, Shinnosuke; Tessarolo, Jacopo; Sakuda, Eri; Clever, Guido H.] TU Dortmund Univ, Dept Chem & Chem Biol, Otto Hahn Str 6, D-44227 Dortmund, Germany in 2021.0, Cited 61.0. The Name is 3,5-Dimethyl-1H-pyrazole. Through research, I have a further understanding and discovery of 67-51-6

Multinuclear Ag clusters sandwiched by Pt complex units were synthesized and characterized by single crystal X-ray diffraction and NMR studies. The sandwich-shaped multinuclear Ag complexes showed two different types of fluxional behavior in solution: rapid slippage of Pt complex units on the Ag-3 core and a reversible demetalation-metalation reaction by the treatment with Cl anion and Ag ion, respectively. The Ag-2 complex obtained by demetalation reaction from the Ag-3 complex displayed U to Z isomerization. These multinuclear Ag complexes showed strong photoluminescence whose properties depended on the existence of Pt -> Ag dative bonds. The Ag-3 complex, identified to be chiral-at-cluster, was optically resolved by the formation of a diastereomeric salt with a chiral anion. The enantiomers show circular dichroism (CD) and circularly polarized luminescence (CPL) properties which is unprecedented for compounds based on a chiral sandwich structure. Theoretical calculations allow to understand their structural features and photophysical properties.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Horiuchi, S; Moon, S; Ito, A; Tessarolo, J; Sakuda, E; Arikawa, Y; Clever, GH; Umakoshi, K or concate me.. HPLC of Formula: C5H8N2

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

An article Switching the site-selectivity of C-H activation in aryl sulfonamides containing strongly coordinating N-heterocycles WOS:000488472900018 published article about LATE-STAGE FUNCTIONALIZATION; DIAZO-COMPOUNDS; RH(III)-CATALYZED SYNTHESIS; BOND FUNCTIONALIZATION; DIRECT ARYLATION; CROSS-COUPLINGS; ACCESS; OLEFINATION; OXIDES; CYCLIZATION in [Dong, Yi; Chen, Jiajing; Zou, Wenxing; Lin, Songwen; Xu, Heng] Chinese Acad Med Sci, Peking Union Med Coll, Inst Mat Med, State Key Lab Bioact Subst & Funct Nat Med, Beijing 100050, Peoples R China; [Dong, Yi; Chen, Jiajing; Zou, Wenxing; Lin, Songwen; Xu, Heng] Chinese Acad Med Sci, Peking Union Med Coll, Inst Mat Med, Beijing Key Lab Act Subst Discovery & Druggabil E, Beijing 100050, Peoples R China; [Zhang, XuePeng] Peking Univ, Shenzhen Grad Sch, Lab Computat & Drug Design, Shenzhen 518055, Peoples R China in 2019.0, Cited 93.0. 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 limitations of arene C-H functionalization of aryl sulfonamides containing strongly coordinating Nheterocycles were overcome using a Rh(III) catalyst. The site-selectivity of C-H carbenoid functionalization at the ortho position relative to either the sulfonamide or N-heterocycle directing groups was elegantly switched using solvents of different polarities and different additive concentrations. Importantly, sulfonamide-group-directed ortho-C-H carbenoid functionalization tolerated strongly coordinating N-heterocycles, including pyridine, pyrrole, thiazole, pyrimidine, and pyrazine. Density functional theory (DFT) calculations were performed to rationalize the reaction mechanisms and the influence of reaction polarity.

About 3,5-Dimethyl-1H-pyrazole, If you have any questions, you can contact Dong, Y; Zhang, XP; Chen, JJ; Zou, WX; Lin, SW; Xu, H or concate me.. Computed Properties of C5H8N2

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