Day: November 17, 2022

Hasany, S. M. published the artcileExtraction and separation of mercury from toxic elements arsenic, cadmium, antimony and thallium, and other metal ions, Computed Properties of 1691-93-6, the main research area is mercury extraction toxic element; arsenic mercury separation; cadmium mercury separation; antimony mercury separation; thallium mercury separation.

Extraction of Hg with 3-methyl-1-phenyl-4-trifluoroacetylpyrazolin-5-one in CHCl3 is described. Maximum extraction (97.3%) and a distribution coefficient (D) of 36.5 are achieved at pH 8. Among the anions tested, thiourea, thiosulfate, and cyanide mask the extraction of Hg. A solution of 0.2M KCN was the most suitable stripping agent for Hg. Decontamination data show that Hg can be separated from toxic elements As, Cd, Sb, and Tl and from other metal ions, i.e., Ga, In, Ge, Sn, Fe Ir, and Pt. A few separations of anal. and radiochem. importance are discussed.

Journal of Radioanalytical and Nuclear Chemistry published new progress about Toxicants. 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, Computed Properties of 1691-93-6.

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

Hecht, Sidney M. published the artcileStructure determination of the N-methyl isomers of 5-amino-3,4-dicyanopyrazole and certain related pyrazolo[3,4-d]pyrimidines, Recommanded Product: 5-Amino-1H-pyrazole-3,4-dicarbonitrile, the main research area is pyrazoledicarbonitrile amino tautomerism; tautomerism aminopyrazoledicarbonitrile; pyrazolopyrimidine structure.

Addnl. data considered in abstracting and indexing are available from a source cited in the original document. The position of N substitution of 4-aminopyrazolo[3, 4-d]pyrimidine derivatives was studied by chem. and spectroscopic techniques, and structures were assigned to the pyrazole precursors of these compounds The more abundant pyrazole resulting from treatment of tetracyanoethylene with MeNHNH2 was 3-amino-4, 5-dicyano-1-methylpyrazole (I) on the basis of its conversion to a pyrazolo[3,4-d]pyrimidine identical with authentic 4-amino-2-methylpyrazolo[3,4-d]pyrimidine, rather than with the authentic 1-methyl isomer. The assigned structure was verified by x-ray crystallog. determination of I. Because I was not expected to be the more abundant pyrazole, a mechanism was proposed to account for its formation. 13C NMR and uv data for 3-amino-4,5-dicyanopyrazole indicated that 5-amino-3,4-dicyano-1H-pyrazole was the major tautomer.

Journal of Organic Chemistry published new progress about Tautomers. 54385-49-8 belongs to class pyrazoles-derivatives, name is 5-Amino-1H-pyrazole-3,4-dicarbonitrile, and the molecular formula is C5H3N5, Recommanded Product: 5-Amino-1H-pyrazole-3,4-dicarbonitrile.

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

Cecchini, Martina Maya published the artcileMild catalytic oxidations of unsaturated fatty acid methyl esters (FAMEs) by oxovanadium complexes, Category: pyrazoles-derivatives, the main research area is catalytic oxidation unsaturated fatty acid methyl ester oxovanadium complex.

A selection of unsaturated fatty acid Me esters, namely Me oleate (C18:1), Me linoleate (C18:2) and Me linolenate (C18:3) has been oxidized under mild homogeneous catalytic conditions, using a series of oxovanadium(IV) complexes containing 4-acyl-5-pyrazolone donor ligands with different substituents on acyl residue. The main goal was to evaluate the catalytic role exerted by oxovanadium(IV) metal center, as precursor complex, in the selective oxyfunctionalization of carbon-carbon double bonds of these bio-renewable resources, as a greener alternative to more drastic processes currently used at the industrial level. The three substrates, oxidized using tert-butylhydroperoxide as main oxidant, with or without solvents, showed high conversions of starting materials and high selectivities in the formation of corresponding mono- di- and tri-epoxides, especially under solvent-less conditions. Investigations on a probable catalytic cycle mechanism operative in the tert-butylhydroperoxide oxidation of a simple FAME model substrate, have been performed by means of ESI-MS.

Applied Catalysis, A: General published new progress about Oxidation. 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, Category: pyrazoles-derivatives.

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

Moriarty, R. M. published the artcileHypervalent iodine oxidation of 5-substituted and 4,5-disubstituted pyrazol-3(2H)-ones. A facile synthesis of methyl-2-alkynoates and methyl 2,3-alkadienoates, Application of 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is pyrazolone oxidation iodine hypervalent; alkynoate methyl; alkadienoate methyl.

Hypervalent iodine oxidation of various 5-substituted pyrazol-3(2H)-ones I (R = Me, Et, CO2Me, CH2CO2Me, Ph, 4-ClC4H4, 4-MeC6H4, 4-MeOC6H4) with iodobenzene diacetate or iodosobenzene in methanol results in fragmentative loss of mol. dinitrogen to yield RCCCO2Me. However, 5-methyl-4-substituted pyrazol-3(2H)-ones II (R1 = Me, Et, CH2CO2Me, CH2Ph) under similar conditions yield Me 2,3-allenic esters H2C:C:CRCO2Me. Me 2,3-cycloalkadienoates III (n = 6, 7, 9) are obtained by the oxidative cleavage of 4,5-polymethylene pyrazol-3(2H)-ones IV using iodobenzene diacetate or iodosobenzene in methanol. The scope and mechanism of these reactions are discussed.

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

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

Guillou, Sandrine published the artcile5-Iodo-3-ethoxypyrazoles: an entry point to new chemical entities, Application In Synthesis of 27412-71-1, the main research area is substituted pyrazole preparation; arylation; heterocycles; organic synthesis; palladium; pyrazoles.

Our program, which has focused on the preparation of new pyrazole derivatives, has led us to report here an original and simplified preparation of Et 3-ethoxy-1H-pyrazole-4-carboxylate. This is based on the reaction of hydrazine monohydrochloride and di-Et 2-(ethoxymethylene)malonate. Further transformations of this key compound allowed the preparation of the two possible iodinated isomers, namely, 3-ethoxy-4-iodo- and 3-ethoxy-5-iodo-1H-pyrazole. These compounds have opened the way to a quick access to many original pyrazole series. As an illustration, we report here on the selectivity of N-arylation, by using the Lam and Cham method, the C4- and C5-arylation of some of these 3-ethoxypyrazole derivatives by using the Suzuki-Miyaura reaction, and C5-benzylation reactions by means of the Negishi reaction. This was followed by hydrolysis of the ethoxy group, which led to the corresponding pyrazol-3-one derivatives As a conclusion of this work, we conducted an investigation into the regiochem. of the condensation between di-Et 2-(ethoxymethylene)malonate and the hydrochloride salts of Me, benzyl, or Ph hydrazine.

Chemistry – A European Journal published new progress about Arylation. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Application In Synthesis of 27412-71-1.

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

You, Hyun published the artcileDesign, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents, Computed Properties of 116228-41-2, the main research area is benzoylpeperidinylbutylarylacrylamide preparation NAmPRTase inhibitory anticancer crystal XRD.

NAmPRTase (PBEF/Visfatin) plays a pivotal role in the salvage pathway of NAD+ biosynthesis. NAmPRTase has been an attractive target for anti-cancer agents that induce apoptosis of tumor cells via a declining plasma NAD+ level. In this report, a series of structural analogs of FK866 I, a known NAmPRTase inhibitor, was synthesized and tested for inhibitory activities against the proliferation of cancer cells and human NAmPRTase. Among them, compound II showed similar anti-cancer and enzyme inhibitory activities to compound I. Further investigation of compound II with X-ray anal. revealed a co-crystal structure in complex with human NAmPRTase, suggesting that Asp219 in the active site of the enzyme could contribute to an addnl. interaction with the pyrrole nitrogen of compound II.

European Journal of Medicinal Chemistry published new progress about Amidation. 116228-41-2 belongs to class pyrazoles-derivatives, name is 4-Bromo-1-tosyl-1H-pyrazole, and the molecular formula is C10H9BrN2O2S, Computed Properties of 116228-41-2.

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

Evans, N. A. published the artcileTautomerism in the 5-pyrazolone series. 1(H)-5-Pyrazolones and indazolones, Application of 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is .

Preparation according to Wolff (W. and Schreiner, CA 2, 1451) gave the tautomer MeC(:NNHCMe:CHCO2Et)CH2CO2Et (I), m. 46°; the ester (II), m.. 188°; the lactone (III, R = H) (IV), m. 250°; and III (R = Ac) (V), m. 184°. AcCH2CO2Et(0.01 mol) and 0.01 mol H2NNHAc refluxed 3 h. in alc. gave 55% MeC(:NNHAc)CH2CO2Et (VI), m. 82°. The assigned structure for I was deduced from the N.M.R. spectrum. I was recovered unchanged from C5H5N. I readily rearranged to II and its structure was unambiguously formulated on the basis of the N.M.R. and ir data. The formulation for III followed from the N.M.R. spectrum. IV showed a broad band at νNH 3225 cm.-1 (KCl) removed by acetylation to give V, νCO 1739 cm.-1 (KCl). Spectral data in solution and solid state were consistent with the formulation of II in the enolic form of the pyrazoline ring and suggested that other simpler 1(H)-5-pyrazolones might be formulated better as the enol rather than as the lactam. It was shown that II, 1(H)-3-methyl-5-pyrazolone (VII) (R = R2, R3 = H, R1, = Me) (VIII), m. 217°, VII (R = R2 = R3 = H, R1 = Ph) (IX), m. 236°, and related compounds exist in the enolic form in the solid state and predominantly so in solvents in which they are soluble VIII (3 g.) in 10 mL. C5H5N heated on a steam bath and stirred with dropwise addition of 3.1 g. AC2O, the solution heated 10 min. and diluted with H2O yielded 70% N-Ac derivative, m. 170-2°. VIII (1 g.) heated 1 h. on a steam bath in 5 mL. Ac2O and the product sublimed gave 80% yield of the diacetate (VII, R = R3 = Ac, R1 = Me, R2 = H), m. 38°. Spectral data obtained for VII (R = R3 = Bz, R1 = Me, R2 = H), m. 128°, supported the earlier formulations as 1-benzoyl-3-methyl-5-benzoyloxypyrazole. The isomeric acetates of IX were prepared according to the literature and the structures differentiated by the ir data confirmed the formulations previously proposed by Weissberger and Porter (CA 38, 972). Indazolone derivatives (X) were found to be represented exclusively by the enolized structure. Indazolone (X, R = R’ = H) (XI, 0.19 g.) and 0.2 g. p-MeC6H4SO2Cl refluxed 30 min. in 8 mL. C5H5N gave 0.17 g. X (R = H, R’ = p-MeC6H4SO2) (XII), m. 147°. XII refluxed 2 h. in Ac2O and the mixture kept 16 h. at 19° gave X (R = Ac, R’ = p-MeC6H4SO2) (XIII), m. 106°. C5H5N (10 mL.) containing 1 g. o-H2NNHC6H4CO2H and 1 g. p-MeC6H4SO2Cl refluxed 30 min. gave 0.73 g. α-(ο-carboxyphenyl)-β-tolylsulfonylhydrazine, m. 187° (decomposition), heated (0.17 g.) 2 h. in 6 mL. on a water bath to give 0.15 g. 1-acetyl-2-tolylsulfonylindazolone (XIV). The difference in the uv spectra between XII and XIII on the one hand and between XII and XIV on the other was a confirmation of the ir and chem. basis for determining their structures. XI methylated with 3-fold excess of CH2N2 in Et2O-MeOH at 0° 2 h. gave X (R = H, R’ = Me), m. 104°; Ac derivative m. 89° (petr. ether). The high frequencies found for CO groups in the ir spectra reflect a lack of conjugation with the π-electrons of the heterocyclic ring. The progressive movement to higher frequencies observed in the solution spectra of the 1-acetylspectra of the 1-acetylindazolones as the 3-substituent increases in electron withdrawing power (OMe < OAc < O3SC6H4Me-p) suggests that the N lone pair contributes to the π-electron system and that the acyl CO group reflecting the diminished conjugation approximates more to the state of a Me ketone modified by the direction bond to an atom of greater electronegativity. Tetrahedron published new progress about IR spectra. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Application of 5-Phenyl-1H-pyrazol-3(2H)-one.

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

Uzoukwu, Bieluonwu Augustus published the artcileSyntheses, structure, UV-visible and IR spectral studies of 1-phenyl-3-methyl-4-acyl-5-pyrazolone complexes with vanadium(V), Recommanded Product: 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one, the main research area is vanadium oxo acylpyrazolone complex; pyrazolone acyl vanadium oxo complex.

VO2A.HA (HA = 1-phenyl-3-methyl-4-acyl-5-pyrazolone (acyl = acetyl, propionyl, butyryl, valeroyl, caproyl, benzoyl, trifluoroacetyl, trichloroacetyl) were prepared Characterization was by elemental analyses, UV-visible and IR spectral studies. The UV-visible and IR spectral data with the approx. assignments are given and discussed.

Synthesis and Reactivity in Inorganic and Metal-Organic 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, Recommanded Product: 5-Methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3(2H)-one.

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