Day: November 10, 2022

Uehara, Akihiro published the artcileA new electrochemical method to study the distribution of weak acids at the aqueous|organic solution interface, Safety of 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, the main research area is electrochem method weak acid distribution aqueous organic solution interface; phenylmethylbenzoylpyrazolone distribution aqueous organic solution interface electrochem method; phenylmethyltrifluoroacetylpyrazolone distribution aqueous organic solution interface electrochem method; thenoyltrifluoroacetone distribution aqueous organic solution interface electrochem method; dichloroethane water interface weak acid distribution electrochem method.

The distribution process of a weak acid, HA, between an aqueous and an organic solution, W and O, was assumed to be the transfers of the dissociation products, H+ and A-, between W and O combined with the associations of H+ and A- in W and O. The transfers were considered to proceed depending on Gibbs energies for the transfer of H+ and A- from W to O, ΔGotr,H+ and ΔGotr,A-, and maintaining electroneutrality in both W and O. Then, a theor. equation was derived for quant. expressions of distribution ratios, D, of species relative to HA between W and O at various pH of W by using ΔGotr,H+ and ΔGotr,A- and acid dissociation constants of HA in W and O, Ka,W and Ka,O. The D calculated by substituting Ka,W, Ka,O, ΔGotr,H+ and ΔGotr,A- determined with the aid of electrochem. methods for those in the derived equation agreed well with D determined by the distribution experiments with W of wide pH range. The HA studied were chelating agents such as 1-phenyl-3-methyl-4-benzoyl-5-pyrazolone, 1-phenyl-3-methyl-4-trifluoroacetyl-5-pyrazolone and thenoyltrifluoroacetone.

Journal of Electroanalytical Chemistry published new progress about Electrolysis (controlled potential-difference). 1691-93-6 belongs to class pyrazoles-derivatives, name is 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, and the molecular formula is C12H9F3N2O2, Safety of 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Squarcialupi, Lucia published the artcileStructural refinement of pyrazolo[4,3-d]pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor, Safety of Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate, the main research area is pyrazolopyrimidine derivative preparation A3 adenosine receptor antagonist structure activity; Adenosine receptor antagonists; G-protein-coupled receptors; Ligand-receptor modeling studies; Pyrazolopyrimidines.

In previous research, the authors identified some 7-oxo- and 7-acylamino-substituted pyrazolo[4,3-d]pyrimidine derivatives as potent and selective human (h) A3 adenosine receptor (AR) antagonists. Herein the authors report on the structural refinement of this class of antagonists aimed at achieving improved receptor-ligand recognition. Hence, substituents with different steric bulk, flexibility and lipophilicity (Me, Ar, heteroaryl, CH2Ph) were introduced at the 5- and 2-positions of the bicyclic scaffold of both the 7-oxo and 7-amino derivatives, and acyl residues were appended on the 7-amino group of the latter. All the 2-phenylpyrazolo[4,3-d]pyrimidin-7-amines and 7-acylamines bearing a 4-methoxyphenyl- or a 2-thienyl group at the 5-position showed high hA3 affinity and selectivity. In particular, the 2-phenyl-5-(2-thienyl)-pyrazolo[4,3-d]pyrimidin-7-(4-methoxybenzoyl)amine 25 (Ki = 0.027 nM) is one of the most potent and selective hA3 antagonists reported so far. By using an in silico receptor-driven approach the obtained binding data were rationalized and the mol. bases of the observed hA3 AR affinities were critically described.

European Journal of Medicinal Chemistry published new progress about Adenosine A3 receptor antagonists. 637336-53-9 belongs to class pyrazoles-derivatives, name is Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate, and the molecular formula is C6H9N3O2, Safety of Methyl 4-amino-1-methyl-1H-pyrazole-3-carboxylate.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Varma, R. Luxmi published the artcileBis(2-ethylhexyl)-N,N-diethylcarbamoylmethyl phosphonate as a synergist in the extraction of trivalent lanthanides by 1-phenyl-3-methyl-4-trifluoroacetyl-pyrazolone-5, HPLC of Formula: 1691-93-6, the main research area is synergetic extraction trivalent lanthanide.

Synergism in the extraction of trivalent lanthanides such as Nd, Eu, and Lu was investigated by using mixtures of 1-phenyl-3-methyl-4-trifluoroacetyl-pyrazolone-5 (HPMTFP) and bis(2-ethylhexyl)-N,N-diethylcarbamoylmethyl phosphonate (CMP) in chloroform. Lanthanides are found to be extracted from 0.01 mol/dm3 chloroacette medium with HPMTFP as Ln(PMTFP)3 or Ln(PMTFP)3·CMP in the absence or presence of CMP, resp. The equilibrium constants of these synergistic species do not increase monotonically with at. number but have a maximum at Eu. The addition of a synergist, CMP to the metal chelate system not only enhances the extraction efficiency but also improves the selectivities among these trivalent lanthanides. The IR results indicate that CMP acts as a bidentate ligand in these mixed-ligand systems.

Radiochimica Acta published new progress about. 1691-93-6 belongs to class pyrazoles-derivatives, name is 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, and the molecular formula is C12H9F3N2O2, HPLC of Formula: 1691-93-6.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Choi, Young Lok published the artcileDirect Synthesis of Pyrazolo[5,1-a]isoindoles via Intramolecular Palladium-Catalyzed C-H Bond Activation, Related Products of pyrazoles-derivatives, the main research area is halobenzylpyrazole preparation palladium intramol carbon hydrogen activation; pyrazoloisoindole derivative preparation.

An efficient, direct synthesis of pyrazolo[5,1-a]isoindoles, e.g., I, employing a palladium-catalyzed intramol. C-H bond activation of 1-(2-halobenzyl)pyrazoles has been developed. The use of lithium chloride (LiCl) was found to be essential in these reactions, to suppress further C-H bond activation at the C-3 position of pyrazolo[5,1-a]isoindole, when C-3 is unsubstituted. This protocol can be applied to the synthesis of a pyrazolo[5,1-a]isoquinoline possessing a six-membered central ring system and a fully substituted pyrazolo[5,1-a]isoindole using sequential intra- and intermol. C-H bond activation.

Advanced Synthesis & Catalysis published new progress about Arylation (intramol.). 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Related Products of pyrazoles-derivatives.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Huang, Chunhui published the artcileLangmuir Film-Forming and Second Harmonic Generation Properties of Lanthanide Complexes, Recommanded Product: 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, the main research area is LB film lanthanide diketonato hemicyanine; laser radiation generation lanthanide diketonato hemicyanine; lanthanide diketonato hemicyanine preparation lasing film.

Amphiphilic lanthanide complexes were designed and synthesized, in which the lanthanide complex anions act both as the counterions of hemicyanine and as the spacer within a Langmuir-Blodgett (LB) film. Studies on the surface pressure-area (π-A) isotherms of these complexes show that the film-forming properties can be clearly improved if appropriate β-diketone ligands were chosen. The effects of mol. structures of the complexes, including the variation of lanthanide central ions, the structures of β-diketone ligands, and the length of alkyl chains in hemicyanines, on the film-forming properties of the materials are discussed. From 2nd-harmonic generation experiments, the largely enhanced 2nd-order mol. hyperpolarizability of lanthanide complexes with good film-forming properties were obtained compared with the hemicyanine iodide. This effect may be due in part to the local field effect but primarily mol. ordering and ordered segregation of hemicyanine chromophores by the bulky lanthanide complex anions. The charge separation of the hemicyanine chromophores was supported by the crystal structure of a model complex. The homogeneity of the film was verified by low angle x-ray diffraction and also by the linear relation of the absorbance vs. the number of layers of the LB films of a selected complex.

Journal of Physical Chemistry published new progress about Langmuir-Blodgett films. 1691-93-6 belongs to class pyrazoles-derivatives, name is 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, and the molecular formula is C12H9F3N2O2, Recommanded Product: 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Wu, Fan published the artcileNickel-Catalyzed C-O Cross-Coupling Reaction at Low Catalytic Loading with Weak Base Participation, Formula: C9H8N2O, the main research area is diaryl ether preparation nickel catalyst coupling base.

Herein, the authors report a nickel-catalyzed cross-coupling reaction for the synthesis of diaryl ethers. The desired products are achieved by coupling heterocyclic alcs. with aryl bromides bearing strong electron withdrawing nitro group under the catalyst system of NiCl2(PPh3)2 and weak base KHCO3. This mild reaction exhibits a broad functional group tolerance. 5-(3, 4-Dichlorophenyl)-1-(4-nitrophenyl)-1H-pyrazol-3-ol as an important intermediate is suitable for further structural modification of MALT1 inhibitor MI-2.

European Journal of Organic Chemistry published new progress about Aromatic ethers Role: SPN (Synthetic Preparation), PREP (Preparation). 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Formula: C9H8N2O.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Yamamoto, Takeshi published the artcileBoryl-Directed, Ir-Catalyzed C(sp3)-H Borylation of Alkylboronic Acids Leading to Site-Selective Synthesis of Polyborylalkanes, Synthetic Route of 111562-32-4, the main research area is iridium catalyst borylation alkylboronic acid boryl directing group; chemoselective polyboryl alkane preparation.

Pyrazolylaniline serves as a temporary directing group attached to the boron atom of alkylboronic acids in Ir-catalyzed C(sp3)-H borylation. The reaction takes place at α-, β-, and γ-C-H bonds, giving polyborylated products including di-, tri-, tetra-, and even pentaborylalkanes. α-C-H borylation was generally found to be the preferred reaction of primary alkylboronic acid derivatives, whereas β- or γ-borylation also occurred if β- or γ-C-H bonds were located on the Me group.

Organic Letters published new progress about Boronic acids Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 111562-32-4 belongs to class pyrazoles-derivatives, name is 2-(1H-Pyrazol-3-yl)aniline, and the molecular formula is C9H9N3, Synthetic Route of 111562-32-4.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Sita, N. Mahalakshmi published the artcileEquilibrium studies of lanthanide(III) complexes of 1-phenyl-3-methyl-4-benzoyl pyrazolone-5 (PMBP) and 1-phenyl-3-methyl-trifluoroacetyl-pyrazolone-5 (PMTFP), COA of Formula: C12H9F3N2O2, the main research area is rare earth complex PMBP PMTFP stability; pyrazolone benzoyl fluoroacetyl lanthanide complex stability.

The stability constants of [Ln(PMBP)3.NO3] and [Ln(PMTFP)3] complexes have been determined by the potentiometric method and the values obtained practically agree for the whole series of lanthanides for both types of complexes. The “”gadolinium break”” is also evident. Under the same exptl. conditions, the competitive coordination reaction of the ligands with Ca2+ and Na+ have been carried out whose ionic radii are almost the same but their charges are different. The IR spectral studies show that in the PMBP and PMTFP complexes, the ligands are similarly coordinated by the carbonyl oxygen groups. The multiplet pattern of NMR spectra which partially disappears on coordination of the ligands shows a more rigid structure for PMBP than for PMTFP complexes.

Indian Journal of Chemistry, Section A: Inorganic, Bio-inorganic, Physical, Theoretical & Analytical Chemistry published new progress about IR spectra. 1691-93-6 belongs to class pyrazoles-derivatives, name is 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, and the molecular formula is C12H9F3N2O2, COA of Formula: C12H9F3N2O2.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Burja, Bojan published the artcileA simple approach to pyrazol-3-ones via diazenes, Quality Control of 27412-71-1, the main research area is arylpropenoic acid oxalyl chloride activation methyl carbazate amidation; hydrazide arylpropenoic acid preparation oxidation zirconium tetrachloride cyclization; nitrogen protected arylpyrazolone preparation deprotection; arylpyrazolone preparation.

An efficient entry into pyrazol-3-ones is described starting from propenoic acids that were first transformed into the corresponding hydrazides. Oxidation of the hydrazides gave the diazenes and the latter cyclized to pyrazol-3-ones on treatment with ZrCl4. The methoxycarbonyl protection of the N-1 of the pyrazolone derivatives was easily removed under mild reaction conditions.

Tetrahedron published new progress about Amidation. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Quality Control of 27412-71-1.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Aromi, Guillem published the artcileNovel topologies in NiII cluster chemistry: incorporation of alkaline-earth metals in the new [NiII6MgII2] and [NiII8MII] (M = Sr, Ba) cages, Name: 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is nickel alk earth pivalato pyrazolinone polynuclear complex preparation structure; crystal structure nickel alk earth pivalato pyrazolinone polynuclear complex; magnetic property nickel alk earth pivalato pyrazolinone polynuclear complex.

The reaction of [Ni2(H2O)(piv)4(Hpiv)4] (1) (Hpiv = pivalic acid) with Hppo (3-phenylpyrazolin-5-one) in the presence of a base of an alk.-earth metal (MII = MgII, SrII or BaII) led to three different NiII clusters whose structures are controlled by the nature of MII. The formulas of the new heteronuclear cages are [Ni6Mg2(OH)2(ppo)4(piv)10(Hppo)4(MeOH)2] (2), [Ni8Sr(OH)2(ppo)6(piv)10(Hppo)5(Hpiv)2(MeCN)] (3) and [Ni8Ba(OH)2(ppo)6(piv)10(Hppo)5.3(Hpiv)0.7(MeCN)2] (4). Magnetic measurements indicate that the spin ground state of 2 consists of two independent S = 3 units, while the presence of two noninteracting S = 2 fragments in the mol. is postulated for compounds 3 and 4.

Dalton Transactions published new progress about Antiferromagnetic exchange. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Name: 5-Phenyl-1H-pyrazol-3(2H)-one.

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics