Category: 4551-69-3

Yan, Xingchen published the artcileProteasome inhibition and cytostatic effects on human cancer cells by pyrazolone-enamines: a combined crystallographic, structural and computational study, Application In Synthesis of 4551-69-3, the publication is New Journal of Chemistry (2015), 39(3), 2168-2180, database is CAplus.

Nine compounds were designed and synthesized by the condensation reaction of the carbonyl in 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (HPMBP) with the amino groups in 5-aminoisophthalic acid, 4,4′-diaminodiphenylmethane, 4-aminophenylacetic acid, 4-aminobenzamide, 2-amino-4-methylphenol, 5-amino-2-methylphenol, 2-aminophenol, 3-aminophenol and 4-aminophenol. They were then characterized by IR, ¹H NMR, elemental anal., and x-ray crystallog., which suggested that all of them exist as the pyrazolone-enamine forms in the solid state and in a DMSO solution through tautomeric reactions. The nine compounds were evaluated for their ability to inhibit the proliferation of human liver cancer HepG2 cells. Compounds 4-[(Z)-(2-Hydroxy-5-methylphenylamino)phenylmethylene]-3-methyl-1-phenyl-2-pyrazolin-5-one (5), 4-[(Z)-(3-Hydroxy-4-methylphenylamino)phenylmethylene]-3-methyl-1-phenyl-2-pyrazolin-5-one (6), 4-[(Z)-(2-Hydroxyphenylamino)phenylmethylene]-3-methyl-1-phenyl-2-pyrazolin-5-one (7) and 4-[(Z)-(3-Hydroxyphenylamino)phenylmethylene]-3-methyl-1-phenyl-2-pyrazolin-5-one (8) demonstrated a strong inhibitory effect on the proliferation of HepG2 cells. The nine compounds can also inhibit the activity of the human cancer cellular 20S proteasome. Further studies on compound (6) as the representative indicate that it can cause the accumulation of ubiquitinated proteins and the proteasome target proteins Bax and p27, and exhibit a cytostatic effect in HepG2 cells in a concentration-dependent and time-dependent manner. The four potential tautomers of compound (6) were optimized and their single point energies were calculated by the d. functional theory (DFT) B3LYP method based on the polarized continuum model (PCM) in water to identify the most likely tautomer existing in cancer cells. Based on the optimized structure of the most stable tautomer in water, the Wiberg bond orders, mol. electrostatic potential (MEP) maps and frontier MO were calculated As compounds (5), (6), (7) and (8) have hydroxyl in the ortho-position or meta-position, the authors’ study can provide some information to study their anticancer mechanism and the substitution effect of different functional groups.

New 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 C19H15NO3, Application In Synthesis of 4551-69-3.

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

Dong, W.-K. published the artcileSynthesis, crystal, and supermolecular structure of (Z)-4-({4-[1-(hydroxyimino)ethyl]-phenylimino}(phenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, Application In Synthesis of 4551-69-3, the publication is Asian Journal of Chemistry (2013), 25(17), 9952-9956, database is CAplus.

The compound, (Z)-4-({4-[1-(hydroxyimino)ethyl]phenylimino}(phenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one was synthesized and characterized by elemental anal., IR spectra and X-ray diffraction method [triclinic, space group P-1, a 9.5375(12), b 11.2824(13), c 20.545(2) Å, α 97.3970(10), β 92.0430(10), γ 99.280(2)°, V 2160.1(4) ų, Z 4]. This compound is a potential tridentate ligand containing mono-oxime group. In the crystal structure, there are two crystallog. independent but chem. identical mols. A and B. There are two strong intramol. N3-H3…O1 and N7-H7…O3 hydrogen bonds form six-membered S(6) ring motifs. Each mol. A interlinks two neighboring mols. B into a 1D infinite chain through six intermol. O2-H2…N6, C29-H29A…O2, C35-H35…N4, O4-H4…N2, C4-H4A…O4 and C10-H10…N8 hydrogen bonds and each mol. B interlinks two neighboring mols. A into the other 1D infinite chain in the same way. Furthermore, the two dual chains are further stabilized by intermol. C50-H50B…O1 hydrogen bonds to form an infinite 2D supramol. network 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 C17H14N2O2, Application In Synthesis of 4551-69-3.

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

Conroy, Nathan A. published the artcileA Novel Method for Tracer Concentration Plutonium(V) Solution Preparation, Synthetic Route of 4551-69-3, the publication is Analytical Chemistry (Washington, DC, United States) (2016), 88(8), 4196-4199, database is CAplus and MEDLINE.

Preparation of relatively pure low concentration Pu(V) solutions for environmental studies is nontrivial due to the complex redox chem. of Pu. Ozone gas generated by an inexpensive unit designed for household-use was used to oxidize a 2 × 10^-8 M Pu(IV) solution to predominantly Pu(VI) with some Pu(V) present. Over several days, the Pu(VI) in the solution reduced to Pu(V) without further reducing to Pu(IV). The reduction from Pu(VI) to Pu(V) could be accelerated by raising the pH of the solution, which led to an immediate conversion without substantial conversion to Pu(IV). The aqueous Pu is stable as predominately Pu(V) for greater than one month from pH 3-7; however, at circumneutral pH, a sizable fraction of Pu was lost from solution by either precipitation or sorption to the vial walls. This method provides a fast means of preparing Pu(V) solutions for tracer concentration studies without numerous extraction or cleanup steps.

Analytical Chemistry (Washington, DC, 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, Synthetic Route of 4551-69-3.

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

Yan, Xingchen published the artcileCrystal structures and theoretical calculations of two peculiar compounds derived from 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one, Product Details of C17H14N2O2, the publication is Journal of Molecular Structure (2014), 609-616, database is CAplus.

A potassium coordination polymer [K₂(PMBP)₂(H₂O)₃]_n·2nH₂O (1) was prepared by reaction of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (HPMBP) with potassium hydroxide. The single crystal of the supermol. C₆H₁₁NH⁺₃·PMBP^– (2) was then obtained by utilizing cyclohexylamine as the proton acceptor. It is a diketonate salt with an organic base where the PMBP^– anions are stabilized by the intermol. weak interactions (including hydrogen bonding, π-π stacking interactions and Van der Waals forces), rather than by coordination to a metal center. Geometrical parameters of the isolated PMBP^– anion were optimized through quantum chem. calculation to simulate the state without any disturbances or interactions. Comparison of geometric parameters of compound 1 with the optimized structure of PMBP^– provides an approach to study weak intermol. interactions in the crystal state. The coordination sites and the proton acceptors of hydrogen bonds predicted by theor. calculations are consistent to the exptl. results.

Journal of Molecular Structure 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 C19H15NO3, Product Details of C17H14N2O2.

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

Liu, Deng-Feng published the artcileRing-opening copolymerization of CHO and MA catalyzed by mononuclear [Zn(L²)(H₂O)] or trinuclear [Zn₃(L²)₂(OAc)₂] complex based on the asymmetrical bis-Schiff-base ligand precursor, Application of 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Journal of Molecular Catalysis A: Chemical (2014), 136-145, database is CAplus.

Based on the half-unit Schiff-base ligand precursor HL¹ and the asym. bis-Schiff-base ligand precursor H₂L² synthesized from the reaction of 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone (PMBP), o-phenylenediamine and/or o-vanillin, three complexes containing low toxicity Zn²⁺ ions, mononuclear [Zn(L¹)₂] (1), [Zn(L²)(H₂O)] (2) and trinuclear [Zn₃(L²)₂(OAc)₂] (3), are obtained, resp. Complex 1 proves to be inactive, resulting from its saturated octahedral coordination environment around the central Zn²⁺ ion, while in complex 2 or 3, the unsaturated five and/or 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). All the bulk copolymerizations afford poly(ester-co-ether)s, while some of the solution copolymerizations produce perfectly alternating polyester copolymers. Moreover, higher polymerization temperature, lower catalyst and co-catalyst concentration and shorter reaction time are helpful for the formation of alternating copolymers in bulk or solution copolymerization Of the three co-catalysts, DMAP (4-(dimethylamino)pyridine) is found to be the most efficient, while an excess thereof is detrimental for chain growth of the copolymers.

Journal of Molecular Catalysis A: Chemical 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 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

Xu, Li published the artcileSupramolecular structure of bis(4-benzoyl-3-methyl-1-phenyl-5-(2H)-2-pyrazolonato)copper(II), COA of Formula: C17H14N2O2, the publication is Asian Journal of Chemistry (2013), 25(13), 7629-7630, database is CAplus.

The mol. of the Cu(II) complex with the empirical formula C₃₄H₂₆N₄O₄Cu, bis(4-benzoyl-3-methyl-1-phenyl-5(2H)-2-pyrazolonato)copper(II), is rigorously centrosym. [symmetry codes: -x + 1, -y + 1, -z + 1]. Each Cu(II) atom is four-coordinated by two O atoms (O1 and O1#) from pyrazolone ring in deprotonated enol-form and other two O atoms (O2 and O2#) in carbonyl-form forming a rigorously square planar geometry. In the crystal structure, weak intermol. C-H···O H bonds link the title mols. into an infinite 1-dimensional supramol. chains 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 C28H18O4, COA of Formula: C17H14N2O2.

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

Zong, Ziao published the artcileCrystal structures and anticancer activities of five novel pyrazolone-enamine transition metal complexes with 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one, Synthetic Route of 4551-69-3, the publication is Journal of Molecular Structure (2018), 333-339, database is CAplus.

Three pyrazolone-enamine ligands HL¹, HL² and H₂L³ were synthesized by the reaction of 4-benzoyl-3-methyl-1-phenyl-2-pyrazolin-5-one (HPMBP) with Me 4-aminophenylacetate, 4-aminobenzamide and 2-amino-5-methylphenol, resp., followed by tautomeric reactions. Their complexes [Zn(L¹)₂] (1), [Co(L²)₂(H₂O)₂] (2), [CuL³(H₂O)₂] (3a), [ZnL³(H₂O)₂] (3b) and [CdL³(H₂O)₂] (3c) were synthesized and characterized by single-crystal x-ray, IR, elemental anal., ¹H NMR, TGA. Single-crystal x-ray anal. reveals that HL¹, complex 1 and complex 2 are all connected by hydrogen bonds, C-H···π interactions and van der Waals forces to form the 3-D network. The Zn(II) ion in complex 1 is four coordinated to two L¹ ligands. The Co(II) ion in complex 2 is six coordinated to two L² ligands and two water mols. The metal ions in complexes 3a, 3b and 3c are five coordinated to one L³ ligand and two water mols. After coordination, the structures of the ligands reversed to the Schiff base structures. Moreover, the anticancer activities were investigated, complexes 3a and 3b can effectively inhibit the proliferation of human breast cancer MDA-MB-231 cells. Besides, complexes 1, 2, 3b and 3c exhibit excellent luminescence properties.

Journal of Molecular Structure 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 C37H30ClIrOP2, Synthetic Route of 4551-69-3.

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

Dong, W.-K. published the artcileSupramolecular chelate copper(II) complex with 4-[(ethoxyimino)(phenyl)methyl]-5-methyl-2-phenyl-1Hpyrazol-3(2H)-one: Synthesis, crystal structure, and properties, Recommanded Product: 4-Benzoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, the publication is Russian Journal of General Chemistry (2013), 83(6), 1131-1135, database is CAplus.

A supramol. Cu(II) complex, [Cu(L)₂(H₂O)]·C₂H₅OH (1) {HL (2) = 4-[(ethoxyimino)(phenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one} was synthesized and characterized structurally. The structure of the Cu(II) complex consists of one Cu(II) atom, two bidentate L-units, one coordinated H₂O and one crystallization ethanol mol. The Cu(II) atom of the complex has a slightly distorted tetragonal pyramidal geometry. Moreover, every Cu(II) complex mol. links four other mols. into an infinite 2D-layer supramol. structure via intermol. O-H…O, O-H…N, and C-H…O hydrogen bonds.

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 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

Zhi, Li-Hua published the artcile3-Methyl-1-phenyl-4-[(Z)-phenyl(4-acetamidoanilino)methylidene]-1H-pyrazol-5(4H)-one, COA of Formula: C17H14N2O2, the publication is Acta Crystallographica, Section E: Structure Reports Online (2012), 68(7), o2132, database is CAplus and MEDLINE.

In the title compound, C₂₅H₂₂N₄O₂, the dihedral angles between the central pyrazole ring and the Ph and benzene rings are 37.01(3), 75.58(7) and 49.67(8)°. An intramol. N-H···O H bond generates an S(6) motif. In the crystal, N-H···O H bonds link mols. into a zigzag chain extended along the b axis. 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 C6H4ClN3S, COA of Formula: C17H14N2O2.

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

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