Category: 4551-69-3

Zhou, Zhen published the artcile4-Benzoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one/PdCl₂-catalyzed Suzuki coupling reactions under mild aerobic conditions, Quality Control of 4551-69-3, the publication is Huaxue Tongbao (2016), 79(3), 243-247, database is CAplus.

A simple com. ligand 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one had been applied to the palladium-catalyzed Suzuki-Miyaura cross-coupling in this paper. The effect of reaction condition, such as temperature, time, solvents and bases on the yield of product had been evaluated. Under the optimized conditions, a variety of aryl bromides and phenylboronic acid were successfully cross-coupled in high yield at a low catalytic loading of 0.1 (mol)%. Furthermore, the less reactive reactants such as aryl chlorides was explored to enlarge the scope of this cross-coupling, and it was found that the catalytic system employing the ligand in DMF/H₂O provided a general and convenient method to prepare biaryls from activated aryl chlorides. Besides, the optimal experiments revealed that the improvement of reaction time/temperature as well as the polarity of the proton solvent turned out to be the effective method for the coupling reaction.

Huaxue Tongbao 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 C18H28BNO2, Quality Control of 4551-69-3.

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

Wang, Gang published the artcileSynthesis, structure characterization and antibacterial activities of the Schiff base condensed from 1-phenyl-3-methyl-4-(p-methylbenzoyl)-5-pyrazolone and L-phenylane ethyl ester and its metal complexes, Computed Properties of 4551-69-3, the publication is Xinxiang Yixueyuan Xuebao (2015), 32(1), 8-11, database is CAplus.

The aim of the research was to synthesize a Schiff base derived from 1-phenyl-3-methyl-4-(p-methylbenzoyl)-5-pyrazolone (HPMTP) with L-phenylane Et ester and its metal complexes [Cu (II), Co (II), Ni (II), Fe (II), Mn (II)] and test their possible structures and antibacterial activity. The possible structures were given to the six compounds by elemental anal., 1H NMR (¹H NMR) and IR spectroscopy (IR) methods. The antibacterial activity tests at different concentrations against E. coli and B. subtilis were performed using diffusion test in vitro. The possible structure of schiff base ligand and its metal complexes was deduced according to the results of ¹H-NMR and IR. All compounds had the activity of inhibiting the growth of the E. coli and B. subtilis at 1.25, 2.50, 5.00 g·L^-1, and the antibacterial activity was the highest at 2.50 g·L^-1. The order of the antibacterial activity was metal complex > Schiff base ligand > HPMTP. Especially, the antibacterial activity of Cu (II) and Co (II) complexes was the best. Cu (II) and Co (II) complexes were worth for them to be future developed.

Xinxiang Yixueyuan Xuebao 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 C11H21BO2Si, Computed Properties of 4551-69-3.

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

Sun, Yin-Xia published the artcileSynthesis and crystal structure of a new 2D-supramolecular complex: [Cd(C₁₇H₁₃N₂O₂)₂(C₂H₆O)₂], Related Products of pyrazoles-derivatives, the publication is Asian Journal of Chemistry (2013), 25(13), 7115-7117, database is CAplus.

The mol. of the prepared Cd(II) complex bis(1-phenyl-3-methyl-4-benzoyl-5-pyrazolone)bis(ethanol)cadmium(II), [Cd(C₁₇H₁₃N₂O₂)₂(C₂H₆O)₂], is rigorously centrosym. [symmetry codes: -x, -y, -z]. The Cd(II) center exhibits a slightly distorted octahedral geometry with two ligand units forming the basal O₂O₂ coordination plane and two other O atoms from two coordinated EtOH mols. in the axial position. In the crystal structure, intermol. O-H···N H bonds and C-H···π stacking interactions link the complex mols. into an infinite 2-dimensional supramol. structure.

Asian Journal of 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 C7H13NO2, Related Products of pyrazoles-derivatives.

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

Zhang, Zhao published the artcile(Z)-4-[(3-Aminonaphthalen-2-ylamino)(phenyl)methylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, Application In Synthesis of 4551-69-3, the publication is Acta Crystallographica, Section E: Structure Reports Online (2012), 68(9), o2777, database is CAplus and MEDLINE.

The mol. of the title compound, C₂₇H₂₂N₄O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 12.73(11), 65.17(6), and 49.82(6)° with the two benzene rings and the naphthalene ring system. In the crystal, pairs of mols. are linked by intermol. N-H···N hydrogen bonds, forming dimers. The secondary amino group is involved in an intramol. N-H···O hydrogen bond.

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 C15H12O6, Application In Synthesis of 4551-69-3.

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

He, Dingsheng published the artcileImpact of Lewis Base on Chemical Reactivity and Separation Efficiency for Hydrated Fourth-Row Transition Metal (II) Complexes: An ONIOM DFT/MM Study, Category: pyrazoles-derivatives, the publication is Journal of Physical Chemistry A (2014), 118(16), 2984-2994, database is CAplus and MEDLINE.

In this paper, two-layer ONIOM combinations of high-level quantum mechanics (QM) and inexpensive mol. mechanics (MM) are successfully used to investigate the structural characters of metal (M, all the transition metals in the fourth period)-H₂O-Lewis base (A^–) complexes. Global and local descriptors of chem. reactivity and selectivity from conceptual d. functional theory are employed to show the properties of the active complexes of M(H₂O)₂A₂ and to study the effect of the Lewis base for the separation of transition metal ions. It is shown that chem. potential, hardness, electrophilicity, as well as the dual and multiphilic descriptors are adequate for characterizing the global and local reactivity trends of the M(H₂O)₂A₂ complex. It is found that the reactivity is well localized at the metallic center in M(H₂O)₂A₂ and the dual descriptor (Δf_M(r)) can also be used to characterize the directional attack of the electrophile and nucleophile except for the selectivity of the reaction. On the basis of the values of ω_M and Δs_k, and the sign of Δf_M(r), the selectivity of the nucleophilic reagent (R^–) for M(II) in M(H₂O)₂A₂ (from high to low) follows this order: Cu(II) > Ni(II) > Co(II) > Fe(II) ≫ Mn(II) > Zn(II) > Cr(II). The Lewis base (A^–) improves chem. reactivity and selectivity because of changing the reaction path and forming an intermediate, which possesses the higher antibonding character and the larger HOMO/LUMO gap. NBO or AIM ALL anal. and Frontier orbital theory results presented here provided more theor. support for the above reactivity and selectivity studies.

Journal of Physical Chemistry A 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, Category: pyrazoles-derivatives.

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

He, Dingsheng published the artcileQuantum chemical study of extraction characteristics of kinetic synergist OT in liquid membrane using HPMBP as carrier, HPLC of Formula: 4551-69-3, the publication is Separation and Purification Technology (2013), 289-296, database is CAplus.

Kinetic synergic extraction in solvent extraction chem. was investigated by quantum chem. computations. D. functional theory (DFT) and conceptual DFT studies were carried out for us to analyze the extraction characteristics of kinetic synergist OT (Manoxol OT) in liquid membrane containing HPMBP (1-phenyl-3-methyl-4-benzoyl-pyrazolone-5) as the carrier to sep. Cu(II) from Cu-Zn sulfate binary mixture solution Reactivity indexes verify that all the copper(II) complexes are more reactive than the zinc(II) complexes and the Cu(II) site of the copper(II) species is more electrophilic than the Zn(II) site of all the corresponding zinc(II) species in the presence of OT. The quantum chem. computation demonstrates that the extraction of Cu(II) ions is composed of the two chem. reactions and M(H₂O)₂A₂ (M = Cu and Zn) is an intermediate product. The LUMO of Cu(H₂O)₂A₂ contains high anti-bonding characters and the mol. has a smaller HOMO-LUMO gap. The formation of the intermediate product, Cu(H₂O)₂A₂, evidently improves the selectivity and the extraction rate for Cu(II) ions. The different polarity for CuR₂ and ZnR₂ provides the evidence on the selectivity of the extraction system for Cu(II) species. Through theor. computations and the anal. for the intermediate product M(H₂O)₂A₂, we can also forecast the probability of the separation for the different metal ions based on M(H₂O)₂A₂ before solvent extraction and liquid membrane separation experiments, as shown in this work.

Separation and Purification Technology 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, HPLC of Formula: 4551-69-3.

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

Liu, Chen-Fei published the artcileIridium(III)-Catalyzed Tandem Annulation Synthesis of Pyrazolo[1,2-α]cinnolines from Pyrazolones and Sulfoxonium Ylides, Application In Synthesis of 4551-69-3, the publication is Journal of Organic Chemistry (2019), 84(1), 409-416, database is CAplus and MEDLINE.

A highly efficient iridium-catalyzed cascade annulation of pyrazolones and sulfoxonium ylides to access various pyrazolo[1,2-α]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.

Journal of Organic 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, Application In Synthesis of 4551-69-3.

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

Pan, Fu-de published the artcileDetermination of total amount of rare earth elements in tea by arsenazo III-spectrophotometry coupled with extraction with PMBP, Name: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Lihua Jianyan, Huaxue Fence (2016), 52(1), 93-95, database is CAplus.

In the work, the sample was subjected to mixed acid digestion, the test solution was purified by combined masking, extraction, and back extraction methods, and the content of rare earth elements was determined by arsenazo III-spectrophotometry. The results of the method were accurate and reliable. Spectrophotometry had the advantages of simplicity, fastness, low cost, etc., and had the significance of popularization and application.

Lihua Jianyan, Huaxue Fence 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

Zhu, Luqun published the artcileA trinuclear [Zn₃(L)₂(OAc)₂] complex based on the asymmetrical bis-Schiff-base ligand H₂L for ring-opening copolymerization of CHO and MA, Application of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Inorganic Chemistry Communications (2013), 182-185, database is CAplus.

Based on asym. bis-Schiff-base ligand H₂L from o-vanillin and the half-unit Schiff-base precursor HL synthesized from 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP) and o-phenylenediamine, a trinuclear [Zn₃(L)₂(OAc)₂] (1) is obtained. In complex 1, the unsaturated five and four-coordinate coordination environment for the catalytic active centers (Zn²⁺ ions) permits the monomer insertion for the effective bulk or solution copolymerization of CHO (cyclohexene oxide) and MA (maleic anhydride) in the presence of co-catalyst of DMAP (4-(dimethylamino)pyridine), TPP (triphenylphosphine) or n-Bu₄NBr. All the bulk copolymerizations afford poly(ester-co-ether)s, while some of the solution copolymerizations produce perfectly alternating polyester copolymers. Of the three co-catalysts, DMAP is found to be the most efficient, while an excess thereof is detrimental for chain growth of the copolymers.

Inorganic Chemistry Communications 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 C12H16N2O2, Application 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

Wu, Jing published the artcileElectronic and steric effects of substituents in series of Zn²⁺ asymmetrical bis-Schiff-base ligands complexes on catalytic ring-opening copolymerization of CHO and MA, SDS of cas: 4551-69-3, the publication is Journal of Organometallic Chemistry (2014), 302-311, database is CAplus.

Based on the half-unit Schiff-base ligand HL and series of asym. bis-Schiff-base ligand H₂Lⁿ (n = 1-6) in situ synthesized from the reaction of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP), o-phenylenediamine, and/or different salicylaldehyde derivatives, complexes [Zn(L)₂] (1) and series of [Zn(Lⁿ)] (n = 1-6, 2-7) are obtained, resp. Complex 1 proves to be inactive, resulting from its saturated octahedral coordination environment around the central Zn²⁺ ion, while in complexes 2-7, the unsaturated coordination environment for the catalytic active centers (Zn²⁺ ions) permits the monomer insertion for the effective bulk or solution copolymerization of CHO (cyclohexene oxide) and MA (maleic anhydride). As to the electron and steric effect in complexes 2-7 on the catalytic behaviors, the copolymerization results show that the introduction of withdrawing -Br substituent para to the phenoxide group endows higher reactive activity, while the bulkiness effect of the encumbering substituent (-Br, -OMe or tert-butyl) ortho to the phenoxide groups is in favor of the chain growth of the copolymers. Moreover, all the bulk copolymerizations in 2-7/DMAP (4-(dimethylamino)pyridine) systems afford poly(ester-co-ether)s, while lower catalyst and co-catalyst concentration for 3/DMAP system is helpful for the formation of perfectly alternating polyester in solution Of the three co-catalysts, DMAP is found to be the most efficient, while an excess thereof is detrimental for the chain growth of the copolymers.

Journal of Organometallic 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, SDS of cas: 4551-69-3.

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