pyrazoles-derivatives

Mir, J. M. published the artcileQuinoline and pyrazolone functionalized cis-dioxomolybdenum(VI) complexes: synthesis, hyphenated experimental-DFT studies and bactericidal implications, Quality Control of 4551-69-3, the publication is Journal of Coordination Chemistry (2018), 71(23), 3860-3873, database is CAplus.

Mixed-ligand complexes of dioxomolybdenum(VI) [MoO₂(L)(8-hq)(H₂O)], where 8-hq = 8-hydroxyquinoline and LH = 4-acylpyrazolones viz., 3-methyl-1-phenyl-4-propionyl-2-pyrazolin-5-one (pmphpH), 4-butyryl-3-methyl-1-phenyl-2-pyrazolin-5-one (bumphpH), 4-iso-butyryl-3-methyl-1-phenyl-2-pyrazolin-5-one (iso-bumphpH) or 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (bmphpH) were synthesized by the reaction of [MoO₂(acac)₂] and the target ligands in EtOH medium. The complexes have been characterized by elemental analyses, decomposition temperature, molar conductance, magnetic susceptibility, thermogravimetric studies, FTIR, UV-visible, ¹H NMR, ¹³C NMR, and FAB mass spectral studies. The thermal decomposition processes of complex cis-[MoO₂(iso-bumphp)(8-hq)(H₂O)] is discussed with the evaluation of the order of reaction (n) and the activation energy (E_a) calculated from the thermogravimetric (TG) curve. Antibacterial study of one of the complexes at various dilutions also was carried in comparison with the ligands and metal precursor using ampicillin as a standard drug. Gaussian 09 software package was employed to carry out the theor. study using d. functional theory DFT/B3LYP level of theory under LANL2MB (for Mo)/6-311 + G (for nonmetallic elements) basis set for one of the complexes, cis-[MoO₂(bmphp)(8-hq)(H₂O)]. Based on exptl. and theor. data, suitable pseudo pentagonal bipyramidal structures are proposed for this class of metal complexes.

Journal of Coordination Chemistry 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, Quality Control of 4551-69-3.

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

Kumari, N. published the artcileExtractant mediated nano-aggregate formation in Triton X-114 aided cloud formation: structural insights from TEM and SANS studies, Formula: C17H14N2O2, the publication is RSC Advances (2015), 5(116), 95613-95617, database is CAplus.

Nanoaggregate formation by self assembly was noticed during the cloud formation of Triton X-114 ((1,1,3,3-tetramethylbutyl)phenyl-polyethylene glycol) in the presence of dibenzoylmethane (DBM), thenoyltrifluoroacetone (HTTA) and 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) and tri-Bu phosphate (TBP). Transmission Electron Microscopy (TEM) measurements showed that the nature of the extractant influences the clouding behavior of Triton X-114 and the formation of vesicles of different orientations. SANS studies suggested that the majority of Triton X 114 participated in the cloud formation process. Viscosity measurements at different temperatures were used to calculate the activation energy for viscous flow.

RSC Advances 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, Formula: C17H14N2O2.

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

Patel, Rashmi B. published the artcileSynthesis of Metal Catalysts from Industrial Waste Effluents and its Catalytic Application in Biginelli Reaction, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Current Organocatalysis (2016), 3(3), 270-276, database is CAplus.

Background: Industries are using various metals containing salts, for various purposes. However, some amount of metal salts is leached, which creates environmental pollution. Removal of these pollutants is essential. Various groups are working to remove them by different techniques, but here we have applied simple techniques to extract and then these materials are used as a catalyst for the synthesis of organic compounds Presently, as per our knowledge, this type of approach is adopted by us. Method: The ligand pyrazole-thiosemicarbazide was prepared by green chem. method, which was well characterized by various anal. techniques. This ligand is used for the extraction of various salts of metal from the effluent. The metal salts are converted into metal complexes. The metal complexes from the waste are used for the preparation of important biol. active derivatives Results: The ligand extracts the metals very fast. We have also studied the metal – ligand ratio and found that it is 1:1. These complexes are used as a catalyst for Biginalli reaction and in the presence of the catalysts the reaction is faster as compared to the absence of a catalyst. Conclusion: Based on a study we conclude that the ligand can work efficiently for the extraction of metal from the waste water. The formed complexes are the efficient catalysts for the preparation of dihydropyrimidines and its recycle and reuse.

Current Organocatalysis 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

Caldwell, John J. published the artcileDesign and synthesis of 2(1H)-pyrazinones as inhibitors of protein kinases, Category: pyrazoles-derivatives, the publication is Tetrahedron (2012), 68(47), 9713-9728, database is CAplus.

Kinase enzymes play a key role in the development and progression of cancer. Inhibitors of deregulated kinases are effective small mol. anticancer drugs. The 2(1H)-pyrazinone heterocycle is a previously unexploited motif that can fulfil the structural requirements for ATP-competitive inhibition of kinases. Rapid solution-phase syntheses of novel 3,5- and 3,6-disubstituted-2(1H)-pyrazinones were developed through selective, sequential substitution of 2,5-dihalo-3-benzyloxypyrazine and 3,5-dihalo-2(1H)-pyrazinone intermediates. Palladium-catalyzed cross-couplings and S_NAr reactions were used to introduce substituents chosen on the basis of the calculated physicochem. properties of the target pyrazinones. Representative compounds, e.g., I, demonstrated good solubility, kinase inhibitory activity and antiproliferative activity in human tumor cells, confirming the suitability of this chem. class as a kinase-focused library.

Tetrahedron 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, Category: pyrazoles-derivatives.

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

Caldwell, John J. published the artcileDesign and synthesis of 2(1H)-pyrazinones as inhibitors of protein kinases, Category: pyrazoles-derivatives, the publication is Tetrahedron (2012), 68(47), 9713-9728, database is CAplus.

Kinase enzymes play a key role in the development and progression of cancer. Inhibitors of deregulated kinases are effective small mol. anticancer drugs. The 2(1H)-pyrazinone heterocycle is a previously unexploited motif that can fulfil the structural requirements for ATP-competitive inhibition of kinases. Rapid solution-phase syntheses of novel 3,5- and 3,6-disubstituted-2(1H)-pyrazinones were developed through selective, sequential substitution of 2,5-dihalo-3-benzyloxypyrazine and 3,5-dihalo-2(1H)-pyrazinone intermediates. Palladium-catalyzed cross-couplings and S_NAr reactions were used to introduce substituents chosen on the basis of the calculated physicochem. properties of the target pyrazinones. Representative compounds, e.g., I, demonstrated good solubility, kinase inhibitory activity and antiproliferative activity in human tumor cells, confirming the suitability of this chem. class as a kinase-focused library.

Tetrahedron published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Category: pyrazoles-derivatives.

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

Atanassova, Maria published the artcileCoordination chemistry of a para-tert-octylcalix[4]arene fitted with phosphinoyl pendant arms towards 4f-elements: Extraction, synergism, separation, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Separation Science and Technology (Philadelphia, PA, United States) (2016), 51(1), 49-56, database is CAplus.

The solvent extraction of trivalent lanthanoids (Ln³⁺) by 5,11,17,23-tetra(para-tert-octyl)-25,26,27,28-tetrakis(dimethylphosphinoylmethoxy)calix[4]arene (S), bearing four phosphine oxide donor groups at the lower rim as synergistic agent in combination with a 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (HP) in CHCl₃ from chloride medium at μ = 0.1 was quant. described in the form of LnP₃·S complexes. The role of the synergistic agent on the extraction process was discussed. The values of the separation factors have been evaluated. On the basis of the IR and NMR spectra the stoichiometry and the structure of the solid mixed complex of Eu(III) with HP and S were proposed.

Separation Science and Technology (Philadelphia, PA, United States) 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

Yang, Bin published the artcileAdventures in Scaffold Morphing: Discovery of Fused Ring Heterocyclic Checkpoint Kinase 1 (CHK1) Inhibitors, Synthetic Route of 763120-58-7, the publication is Journal of Medicinal Chemistry (2018), 61(3), 1061-1073, database is CAplus and MEDLINE.

Checkpoint kinase 1 (CHK1) inhibitors are potential cancer therapeutics that can be utilized for enhancing the efficacy of DNA damaging agents. Multiple small mol. CHK1 inhibitors from different chem. scaffolds have been developed and evaluated in clin. trials in combination with chemotherapeutics and radiation treatment. Scaffold morphing of thiophene carboxamide ureas (TCUs), such as AZD7762 (1) and a related series of triazoloquinolines (TZQs), led to the identification of fused-ring bicyclic CHK1 inhibitors, 7-carboxamide thienopyridines (7-CTPs), and 7-carboxamide indoles. X-ray crystal structures reveal a key intramol. noncovalent sulfur-oxygen interaction in aligning the hinge-binding carboxamide group to the thienopyridine core in a coplanar fashion. An intramol. hydrogen bond to an indole NH was also effective in locking the carboxamide in the preferred bound conformation to CHK1. Optimization on the 7-CTP series resulted in the identification of lead compound 44, which displayed respectable drug-like properties and good in vitro and in vivo potency.

Journal of Medicinal Chemistry 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 C11H12O4, Synthetic Route of 763120-58-7.

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

Nasir Baig, R. B. published the artcileOrganic synthesis via magnetic attraction: benign and sustainable protocols using magnetic nanoferrites, Product Details of C3H5BN2O2, the publication is Green Chemistry (2013), 15(2), 398-417, database is CAplus.

Magnetic nano-catalysts have been prepared using simple modification of iron ferrites. The nm size range of these particles facilitates the catalysis process, as an increased surface area is available for the reaction; the easy separation of the catalysts by an external magnet and their recovery and reuse are addnl. beneficial attributes. Glutathione bearing nano-ferrites have been used as organocatalysts for the Paal-Knorr reaction and homocoupling of boronic acids. Nanoferrites, post-synthetically modified by ligands, were used to immobilize nanometals (Cu, Pd, Ru, etc.) which enabled the development of efficient, sustainable and green procedures for azide-alkynes-cycloaddition (AAC) reactions, C-S coupling, O-allylation of phenol, Heck-type reactions and hydration of nitriles.

Green Chemistry published new progress about 724710-02-5. 724710-02-5 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Boronic acid and ester,Pyrazole,Boronic Acids,Boronic acid and ester, name is (1H-Pyrazol-5-yl)boronic acid, and the molecular formula is C3H5BN2O2, Product Details of C3H5BN2O2.

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

Reimlinger, Hans K. published the artcile3(5)-Diazopyrazole, Application In Synthesis of 3553-12-6, the publication is Chemische Berichte (1961), 1036-41, database is CAplus.

3(5)-Aminopyrazole (I) prepared from pyrazole-3(5)-carboxylic acid hydrazide (II) gave with iso-AmONO the diazonium chloride (III). The diazotization in weakly acidic solution yielded the diazoamino compound III was converted in weakly alk. solution to the CHCl₃-soluble unstable 3(5)-diazopyrazole (IV). III and IV gave with HI the 3(5)-iodopyrazole (V) and with 2-C₁₀H₇OH (VI) an O-free coupling product. Et 3(5)-pyrazolecarboxylate (342 g.) (from 300 g. N₂CHCO₂Et and C₂H₂) in 200 g. anhydrous N₂H₄ heated 8 h. on the water bath and evaporated in vacuo yielded 390 g. II, m. 166-8° (MeOH). II (390 g.) in 2.5 l. 2N HCl treated with stirring at 0° with solid NaNO₂ in small portions gave 340 g. pyrazole-3(5)-carboxylic acid azide (VII), m. 158-60°. VII (340 g.) in 500 cc. absolute EtOH heated 24 h. on the water bath gave 299 g. Et N-[3(5)-pyrazolyl]urethane (VIII), m. 155-7° (MeOH). VIII (299 g.) and 920 g. Ba(OH)₂.8H₂O in 1.6 l. H₂O refluxed 36 h., filtered, concentrated to half-volume, and extracted continuously with Et₂O yielded 127 g. I, b_1.5 115-16°, m. 38-40°. VIII (10 g.), 20 cc. concentrated HCl, and 10 cc. AcOH refluxed 10 h., evaporated in vacuo, the viscous residue dissolved in saturated aqueous Na₂CO₃, and the solution extracted continuously with Et₂O yielded 5.3 g. N-Ac derivative of I, m. 22-3° (dioxane). I (3 g.) in 150 cc. MeOH saturated at 0° with HCl, filtered, the residue in 100 cc. MeOH treated during 5 min. with dry HCl and then with stirring at 0° with 10% excess iso-AmONO, and the mixture diluted after 1.5 h. with 250 cc. Et₂O gave III, decomposed at 180-5°. I (3 g.) in 150 cc. 85% H₃PO₄ treated with stirring at 0° slowly with concentrated aqueous NaNO₂ and then with saturated aqueous NaOAc yielded 3(5),3′(5′)-diazoaminopyrazole, C₆H₇N₇, yellowish crystals, decomposed at 186-7.5° (MeOH-NH₄OH). III (0.7 g.) in CHCl₃ adjusted at 0° with 50 cc. saturated aqueous Na₂CO₃ to pH 8, the aqueous phase extracted with CHCl₃, and the CHCl₃ solution evaporated cold in vacuo gave long needles of IV, which decomposed rapidly at room temperature with the formation of brown insoluble products. III (1 g.) in 150 cc. CHCl₃ treated at -10° with 3 cc. Et₃N gave a solution of IV. IV in solution treated carefully with CHCl₃ saturated with HCl yielded III. III (from 4 g. I) in a little H₂O treated at 0° with 7 g. NaI in 150 cc. H₂O, the mixture heated 0.5 h. on the water bath, evaporated in vacuo, and the residue extracted with Et₂O yielded 6% V, needles, m. 72-3° (H₂O). IV (from 1.2 g. I) in CHCl₃ treated at 0° with 4 g. 68% HI, the mixture warmed to room temperature, and worked up in the usual manner gave V. A solution of III (from 3.5 g. I added dropwise at 0° to 12.5 g. VI in 10% aqueous NaOH) gave 2.8 g. coupling product, C₁₃H₈N₄, yellow needles from much H₂O, yellow-red platelets from aqueous MeOH, m. 192-4°; the filtrate gave addnl. product. IV solution from III in CHCl₃ treated with concentrated VI in CHCl₃ and evaporated also gave the coupling product, yellow-red leaflets, m. 192-4° (aqueous MeOH). The UV and IR absorption spectra of III and IV were recorded.

Chemische Berichte published new progress about 3553-12-6. 3553-12-6 belongs to pyrazoles-derivatives, auxiliary class Pyrazole,Amine,Amide, name is 3-Acetamidopyrazole, and the molecular formula is C5H7N3O, Application In Synthesis of 3553-12-6.

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

Maquestiau, A. published the artcileTautomerism in the pyrazolinone series. II. Solvent influence on the prototropic equilibrium of N1 substituted pyrazolin-5-ones, Related Products of pyrazoles-derivatives, the publication is Bulletin des Societes Chimiques Belges (1973), 82(3-4), 215-31, database is CAplus.

The solvent effect on the tautomerism of N-1 substituted pyrazolin-5-ones was determined by ir. The % keto form (I) was larger than the % enol form in nonpolar solvents; the % keto form decreased in aprotic solvents with their increasing basicity. In aprotic solvents, the concentration of the NH form (II) was related to the solvent acidity.

Bulletin des Societes Chimiques Belges 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, Related Products of pyrazoles-derivatives.

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