Tag: M.W=250-300

Turanov, A. N. published the artcileExtraction of Rare-Earth Elements(III) with Mixtures of 1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone and Phosphoryl-Containing Podands, Formula: C17H14N2O2, the publication is Russian Journal of General Chemistry (2019), 89(9), 1830-1835, database is CAplus.

Extraction of rare-earth elements(III) ions from chloride solutions with mixtures of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone and phosphoryl-containing podands in organic solvents has been studied. The observed significant synergistic effect is associated with the formation of hydrophobic mixed-ligand complexes of rare-earth elements(III). The stoichiometry of the extracted complexes has been determined, and the extraction constants have been calculated The influence of the phosphoryl-containing podand structure, the organic solvent nature, and the aqueous phase composition on the efficiency of the extraction of rare-earth element(III) ions into the organic phase has been considered.

Russian Journal of General 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 C11H14O2, Formula: C17H14N2O2.

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

Turanov, A. N. published the artcileExtraction of Rare Earth Elements(III) with Mixtures of 1-Phenyl-3-methyl-4-benzoyl-5-pyrazolone and 2-Phosphorylphenoxyacetamides, Computed Properties of 4551-69-3, the publication is Russian Journal of Inorganic Chemistry (2019), 64(3), 407-413, database is CAplus.

Extraction of rare earth element(III) (REE) ions from chloride solutions with mixtures of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone and 2-phosphorylphenoxyacetamides in organic solvents has been studied. Observed considerable synergic effect is related to the formation of hydrophobic mixed-ligand REE(III) complexes. The stoichiometry of extracted complexes has been determined and extraction constants have been calculated Effect of aqueous phase composition, organic solvent nature, and 2-phosphorylphenoxyacetamide structure on the efficiency of REE(III) ions recovery into organic phase has been considered.

Russian Journal of Inorganic 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 C11H14O2, Computed Properties of 4551-69-3.

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

Maurya, R. C. published the artcileSynthesis, characterization, thermal behavior, and DFT aspects of some oxovanadium(IV) complexes involving ONO-donor sugar Schiff bases, Safety of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Journal of Coordination Chemistry (2014), 67(18), 3084-3106, database is CAplus.

Seven new Schiff base complexes of oxovanadium(IV), [VO(L)(H₂O)], where H₂L = N-(4¹-benzoylidene-3¹-methyl-1¹-phenyl-2¹pyrazolin-5¹-one)-glucosamine (H₂bmpph-gls), N-(4¹-butyrylidene-3¹-methyl-1¹-phenyl-2¹-pyrazolin-5¹-one)glucosamine (H₂bumpph-gls), N-(3¹-methyl-1¹-phenyl-4¹-iso-valerylidene-2¹-pyrazolin-5¹-one)-glucosamine (H₂iso-vmpph-gls), N-(3¹-methyl-1¹-phenyl-4¹-propionylidene-2¹-pyrazolin-5¹-one)-glucosamine (H₂pmpph-gls) , N-(4¹-iso-butyrylidene-3¹-methyl-1¹-phenyl-2¹-pyrazolin-5¹-one)-glucosamine(H₂iso-bumpph-gls) N-(4¹-acetylidene-3¹-methyl-1¹phenyl-2¹-pyrazolin-5¹-one)-glucosamine (H₂ampph-gls), and N-(3¹-methyl-1¹-phenyl-4¹-valerylidene-2¹-pyrazolin-5¹-one)-glucosamine (H₂vmpph-gls), were synthesized by the reaction of VOSO₄.5H₂O and the said ligands in aqueous ethanol. The resulting complexes were characterized from elemental anal., vanadium determination, molar conductance, magnetic measurements, thermogravimetric (TG) anal., IR, electronic mass, and ESR studies. The thermal decomposition processes of one representative complex is discussed, and the order of reaction (n) and the activation energies (E_a) were calculated from TG and differential TG curves. Mol. geometry optimizations, mol. surface electrostatic potentials, vibrational frequency calculations, bond lengths, bond angles and dihedral angles, and natural at. charges obtained by natural bond orbital and Mulliken population anal. and calculations of mol. energies, HOMO and LUMO were performed with the Gaussian 09 software package using d. functional theory methods with Becke3-Lee-Yang-Parr (B3LYP) hybrid exchange-correlation functional and the standard 6-311G() basis set for (ampph-glsH₂) and LANL2DZ basis set for one of its complexes, [VO(ampph-gls)(H₂O)]. No imaginary frequency was found in the optimized model compounds, and hence it ensures that the mol. is in the lowest point of the potential energy surface, i.e., an energy min. Finally calculated results were applied to simulate IR spectra which show good agreement with observed spectra. Based on exptl. and theor. data, suitable square pyramidal structures are proposed for these 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, 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

Turanov, Alexander N. published the artcileTripodal organophosphorus ligands as synergistic agents in the solvent extraction of lanthanides(III). Structure of mixed complexes and effect of diluents, Computed Properties of 4551-69-3, the publication is Polyhedron (2019), 276-288, database is CAplus.

The solvent extraction of lanthanides (III) (except for Pm) from chloride medium (at μ = 0.1) into an organic phase containing 4-benzoyl-3-methyl-1-phenyl-5-pyrazolone (HPy) and neutral tripodal ligands on the triphenylphosphine oxide platform with anchored carbamoyl side arms (2-R₂NC(O)CH₂OC₆H₄)₃PO, where R = Bu (L1) and cyclo-Hex (L2) has been studied. A considerable synergistic effect (up to 10⁷) has been observed in the presence of neutral ligands L1 or L2 in the organic phase containing HPy. The stoichiometry of the Ln(III) extracted species has been determined by slope anal. and the equilibrium constants have been calculated It has been found that the lanthanides(III) ions are extracted with mixtures of HPy and neutral ligands L1 or L2 in toluene as LnPy₃L species. The [LaPy₃(H₂O)₂], and new [LaPy₃(L1)] and [LaPy₃(L2)] complexes have been synthesized and characterized via elemental anal. and IR spectroscopy. Solution structure of the above complexes has been examined by IR and multinuclear (¹H, ¹³C, and ³¹P) NMR spectroscopy in toluene-d₈ and CDCl₃. The effect of diluents on synergistic extraction and the solution structure of mixed complexes are discussed.

Polyhedron 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 C11H14O2, Computed Properties of 4551-69-3.

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

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