Day: December 5, 2022

Parekh, Nikhil M. published the artcileQuantum chemical studies and dyeing performance of some novel benzoquinoline based heterocyclic monoazo dyes on polyester fiber, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, the publication is Dyes and Pigments (2012), 95(1), 142-148, database is CAplus.

Some novel benzoquinoline based heterocyclic monoazo dyes were derived by the diazotization of 1H-benzo[g]pyrazolo[3,4-b]quinoline-3-ylamine with various Ph pyrazolone as coupling components. All the heterocyclic monoazo dyes were characterized by elemental analyses and various spectral data (FT-IR, UV-Vis, ¹H NMR and ¹³C NMR), and their 3D model structures were predicted through B3LYP/6-31G(d,p) method. The dyeing performance on polyester fibers inferred that all the dyes gave moderate to excellent fastness properties on fiber. In addition, colorimetric studies of synthesized dyes were discussed.

Dyes and Pigments published new progress about 14580-22-4. 14580-22-4 belongs to pyrazoles-derivatives, auxiliary class Organic Pigment, name is 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone, and the molecular formula is C10H9ClN2O, Recommanded Product: 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Idemudia, Omoruyi G. published the artcile3-Methyl-1-phenyl-4-[(phenyl)(2-phenylhydrazin-1-yl)methylidene]-1H-pyrazol-5(4H)-one, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Acta Crystallographica, Section E: Structure Reports Online (2012), 68(5), o1280-o1281, database is CAplus and MEDLINE.

The title compound, C₂₃H₂₀N₄O, is a heterocyclic phenylhydrazone Schiff base with a pyrazole moiety. In the crystal, a variety of interactions occur, including N-H···π and π-π stacking between the Ph ring of the phenylhydrazinyl group and its symmetry-generated equivalent [centroid-centroid distance = 3.6512(7) Å]. Crystallog. data and at. coordinates are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Idemudia, Omoruyi G. published the artcile4-{[2-(2,4-Dinitrophenyl)hydrazinylidene](phenyl)methyl}-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol monosolvate, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Acta Crystallographica, Section E: Structure Reports Online (2012), 68(12), o3380, database is CAplus and MEDLINE.

In the title compound, C₂₃H₁₈N₆O₅·C₂H₆O, all three benzene rings lie in an approx. plane [maximum deviation = 0.2688(16) Å] that makes an angle of 53.56(3)° with the plane of the pyrazolone ring. Intramol. N-H···O H bonds occur. In the crystal, the EtOH solvent mol. links adjacent mols. through N-H···O-H···O H bonds, leading to an infinite chain along the c-axis direction. The Et group of the EtOH solvent mol. is disordered over two set of sites in a 0.762(5):0.238(5) ratio. Crystallog. data and at. coordinates are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Idemudia, Omoruyi G. published the artcileCrystal structure of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one sulfadiazine dimethylformamide monosolvate, C₃₀H₂₉N₇O₄S, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Zeitschrift fuer Kristallographie – New Crystal Structures (2014), 229(4), 455-457, database is CAplus.

The crystal and mol. structure of a 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one Schiff base with sulfadiazine is presented. In the asym. unit the title compound occurs together with 1 DMF solvent mol. There are 2 notable intramol. H bonds, both with O1, namely N3-H3···O1 and C12-H12···O1 that hold the phenylpyrazolone backbone essentially planar together with extended resonance. The least square plane through the atoms N1-N3, O1, C1-C3, C5, and C11-C16 has a r.m.s. of 0.0671 Å. Adjacent mols. are held together at the sulfadiazine group with 2 short N4-H4···N6 H bonds with lengths of 2.062(19) Å which in terms of graph-set anal. can be described by means of a R²₂(8) descriptor on the unary level. There are a large number of π···π ring interactions. The 2 shortest interactions occur with the Ph ring C31-C36 which has 2 π···π ring interactions; 1 with an adjacent pyrazole ring N1, N2, C1-C3, and 1 with the Ph ring C11-C16. The centroid to centroid distances are 4.2512(8) and 4.2530(9) Å, resp. The crystal contains the solvent DMF positionally disordered in a 0.82:0.18 ratio. Crystallog. data are given.

Zeitschrift fuer Kristallographie – New Crystal Structures published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Idemudia, Omoruyi G. published the artcileSynthesis and characterization of bioactive acylpyrazolone sulfanilamides and their transition metal complexes: single crystal structure of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one sulfanilamide, COA of Formula: C17H14N2O2, the publication is Bioinorganic Chemistry and Applications (2015), 1-15, database is CAplus and MEDLINE.

Two Schiff base ligands Ampp-Sn (1) and Bmpp-Sn (2), afforded by a condensation reaction between sulfanilamide and the resp. acylpyrazolone carbonyl precursors, their Mn(II), Co(II), Ni(II), and Cu(II) complexes prepared by the reaction of ligands and corresponding metal salts in aqueous solutions, were synthesized and then characterized by both anal. and spectroscopic methods, in a view to developing new improved bioactive materials with novel properties. From elemental anal., spectroscopic and TGA results, transition metal complexes, with octahedral geometry having two mols. of the bidentate keto-imine ligand each, are proposed. The single crystal structure of Bmpp-Sn according to x-ray crystallog. showed a keto-imine tautomer type of Schiff base, having three intramol. bonds, one short N2···H2···O3 hydrogen bond of 1.90 Å and two long C13···H13···O2 and C32···H32···O3 hydrogen bonds of 2.48 Å. A moderate to low biol. activities were exhibited by synthesized compounds when compared with standard antimicrobial agents on screening the synthesized compounds against Staphylococcus aureus, Bacillus pumilus, Proteus vulgaris, and Aeromonas hydrophila for antibacterial activity and against free radical 1,1-diphenyl-2-picryl-hydrazyl (DPPH) for antioxidant activity.

Bioinorganic Chemistry and Applications published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, COA of Formula: C17H14N2O2.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Idemudia, Omoruyi G. published the artcileMetal complexes of new bioactive pyrazolone phenylhydrazones; crystal structure of 4-acetyl-3-methyl-1-phenyl-2-pyrazoline-5-one phenylhydrazone Ampp-Ph, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is International Journal of Molecular Sciences (2016), 17(5), 687/1-687/24, database is CAplus and MEDLINE.

The condensation reaction of phenylhydrazine and dinitrophenylhydrazine with 4-acetyl and 4-benzoyl pyrazolone precipitated air-stable acetyldinitrophenylhydrazone Ampp-Dh, benzoylphenylhydrazone Bmpp-Ph and benzoyldinitrophenylhydrazone Bmpp-Dh in their keto imine form; a study inspired by the burning interest for the development of new bioactive materials with novel properties that may become alternative therapeutic agents. Elemental anal., FTIR, 1H, and 13C NMR, and mass spectroscopy have been used to justify their proposed chem. structures, which were in agreement with the single crystal structure of Bmpp-Dh earlier reported according to X-ray crystallog. The single crystal structure of 4-acetyl-3-methyl-1-phenyl-pyrazoline-5-one phenylhydrazone Ampp-Ph, which crystallizes in a triclinic crystal system with a P-1 (Number 2) space group is presented. Octahedral Mn(II), Ni(II), Co(II), and Cu(II) complexes of these resp. ligands with two mols. each of the bidentate Schiff base, coordinating to the metal ion through the azomethine nitrogen C=N and the keto oxygen C=O, which were afforded by the reaction of aqueous solutions of the corresponding metal salts with the ligands are also reported. Their identity and proposed structures were according to elemental anal., FTIR spectroscopy, UV-VIS spectrophotometry (electronic spectra) and Bohr magnetic moments, as well as thermogravimetric anal. (TGA) results. A look at the antibacterial and antioxidant activities of synthesized compounds using the methods of the disk diffusion against some selected bacterial isolates and 1,1-diphenyl-2-picryl-hydrazil (DPPH) resp., showed biol. activities in relation to employed standard medicinal drugs.

International Journal of Molecular Sciences published new progress about 4551-69-3. 4551-69-3 belongs to pyrazoles-derivatives, auxiliary class Benzenes, name is 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, and the molecular formula is C17H14N2O2, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Jayasundara, Chathurika R. K. published the artcileCobalt-Catalyzed C-H Borylation of Alkyl Arenes and Heteroarenes Including the First Selective Borylations of Secondary Benzylic C-H Bonds, Category: pyrazoles-derivatives, the publication is Organometallics (2018), 37(10), 1567-1574, database is CAplus.

A Co di-tert-butoxide complex bearing N-heterocyclic carbene (NHC) ligands was synthesized and characterized. This complex is effective at catalyzing the selective monoborylation of the benzylic position of alkyl arenes using pinacolborane (HBpin) as the B source. This same Co complex enables selective monoborylation of N-methylpyrrole, N-methylpyrazole, and N-methylindole. Catalysis can be achieved with â‰?-3 mol % of the Co precatalyst at 80°.

Organometallics published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Category: pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ivonin, Sergey P. published the artcileSynthesis and oxidation of all isomeric 2-(pyrazolyl)ethanols, Synthetic Route of 930-36-9, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2020), 56(3), 320-325, database is CAplus.

An efficient approach to the preparation of N-substituted 2-(pyrazol-4-yl)ethanols based on recyclization reaction of 3-(dimethoxymethyl)-2-methoxytetrahydrofuran with hydrazines was described. Oxidation by KMnO₄ led to 2-(pyrazol-4-yl)-2-oxoacetic acids. In contrast, 2-(pyrazol-5-yl)ethanol under similar conditions gave only pyrazole-5-carboxylic acid, which formed as a result of oxidation followed by decarbonylation. Compound 2-(pyrazol-3-yl)ethanol in this oxidation reaction gave a mixture of 2-oxo-2-(pyrazol-3-yl)acetic acid and pyrazole-3-carboxylic acid.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Synthetic Route of 930-36-9.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Moningka, Remond published the artcileFragment-based lead discovery of a novel class of small molecule antagonists of neuropeptide B/W receptor subtype 1 (GPR7), Safety of 1H-Pyrazole-4-boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2020), 30(23), 127510, database is CAplus and MEDLINE.

Here, we report the discovery of a new class of NPBWR1 antagonists identified from a fragment-based screen. Compound 1 (cAMP IC₅₀ = 250μM; LE = 0.29) emerged as an initial hit. Further optimization of 1 by SAR-by-catalog and chem. modification produced 21a (cAMP IC₅₀ = 30 nM; LE = 0.39) with a 6700-fold increase in potency from fragment 1. Somewhat surprisingly, Schild anal. of compound 21a suggested that in vitro inhibition of NPW-mediated effects on upon cAMP accumulation were saturable, and that compound 21a dose-dependently increased [125I]-hNPW23 dissociation rate constants from NPBWR1 in kinetic binding studies. Collectively, these data are inconsistent with a classic surmountable, orthosteric mechanism of inhibition. The benzimidazole inhibitors reported herein may therefore represent a mechanistically differentiated class of compounds with which to form a better appreciation of the pharmacol. and physiol. roles of this central neuropeptide system.

Bioorganic & Medicinal Chemistry Letters published new progress about 763120-58-7. 763120-58-7 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is 1H-Pyrazole-4-boronic acid, and the molecular formula is C3H5BN2O2, Safety of 1H-Pyrazole-4-boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Gharbi, Rafik published the artcileA convenient synthesis of a novel fused tetracyclic heterocoumarin, Application of Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, the publication is Journal of Heterocyclic Chemistry (2005), 42(1), 169-172, database is CAplus.

New tetracyclic 6H-[1]benzopyrano[3,4-e]pyrazolo[1,5-a]pyrimidin-6-ones (I, R¹ = H, Me, Et; R² = CN, CO₂Et) have been synthesized through the condensation under acidic conditions of [1]benzopyrano[4,3-c][1,5]benzodiazepin-7(8H)-one (II) and a series of 3,4-disubstituted 5-amino-1H-pyrazoles (III).

Journal of Heterocyclic Chemistry published new progress about 23286-70-6. 23286-70-6 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Amine,Ester, name is Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate, and the molecular formula is C7H11N3O2, Application of Ethyl 5-amino-3-methyl-1H-pyrazole-4-carboxylate.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics