Tag: M.W=150-200

Al-Mutairi, Aamal A. published the artcileMicrowave versus ultrasound assisted synthesis of some new heterocycles based on pyrazolone moiety, Synthetic Route of 27412-71-1, the main research area is pyrazolone derivative preparation microwave ultrasound comparison.

Different pyrazolone derivatives were prepared by microwave irradiation and ultrasound assisted methods besides the traditional ones. They were used for synthesis of some derivatives of spiropiperidine-4,4′-pyrano[2,3-c]pyrazole, dihydropyrano[2,3-c]pyrazole, pyrazole-4-carbothioamide, 4-(2-oxo-1,2-diphenylethylidene)-1H-pyrazol-5(4H)-one, azopyrazole, arylmethylenebis-1H-pyrazol-5-ol and arylidene-1H-pyrazol-5(4H)-one via reactions with different reagents applying the ultrasound method in some cases.

Journal of Saudi Chemical Society published new progress about Green chemistry. 27412-71-1 belongs to class pyrazoles-derivatives, name is 5-Phenyl-1H-pyrazol-3(2H)-one, and the molecular formula is C9H8N2O, Synthetic Route of 27412-71-1.

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

Katane, Masumi published the artcileIdentification of Novel d-Amino Acid Oxidase Inhibitors by in Silico Screening and Their Functional Characterization in Vitro, Quality Control of 27412-71-1, the main research area is Amino acid oxidase inhibitor screening.

D-Amino acid oxidase (DAO) is a degradative enzyme that is stereospecific for d-amino acids, including d-serine and d-alanine, which are potential coagonists of the N-methyl-d-aspartate (NMDA) receptor. Dysfunction of NMDA receptor-mediated neurotransmission has been implicated in the onset of various mental disorders such as schizophrenia. Hence, a DAO inhibitor that augments the brain levels of d-serine and/or d-alanine and thereby activates NMDA receptor function is expected to be an antipsychotic drug, for instance, in the treatment of schizophrenia. In the search for potent DAO inhibitor(s), a large number of compounds were screened in silico, and several compounds were estimated as candidates. These compounds were then characterized and evaluated as novel DAO inhibitors in vitro. The results reported in this study indicate that some of these compounds are possible lead compounds for the development of a clin. useful DAO inhibitor and have the potential to serve as active site probes to elucidate the structure-function relationships of DAO.

Journal of Medicinal Chemistry published new progress about Antipsychotics. 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

Enchev, V. published the artcileTautomersim of nitrogen-unsubstituted pyrazolones (hydroxypyrazoles): MNDO and MNDO + CI study of carbon-substituted tautomers, Application In Synthesis of 27412-71-1, the main research area is pyrazolone hydroxypyrazole tautomerism MO quantum chem; heat formation hydroxypyrazole pyrazolone tautomer; dipole moment hydroxypyrazole pyrazolone tautomer; polarizability hydroxypyrazole pyrazolone tautomer; ionization potential hydroxypyrazole pyrazolone tautomer; substituent effect hydroxypyrazole pyrazolone tautomer.

The heats of formation, dipole moments, polarizabilities and ionization potentials of 96 compounds, eight theor. possible tautomeric forms of N-unsubstituted pyrazolones (hydroxypyrazoles) and 11 of their C-substituted derivatives, are calculated by means of the MNDO method, with and without CI. The MNDO + CI results for the relative stabilities are in agreement with the available exptl. data. They present that in all cases the most stable in the vapor phase are hydroxypyrazole forms, excepting 3- and 4-Ph substituted compounds, among which the most stable are the 2-pyrazolin-5-one and 1-pyrazolin-3-one forms, resp. The influence of the substituents on the quantities characterizing the electronic structure is discussed.

Journal of Molecular Structure: THEOCHEM published new progress about Dipole moment. 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

Refn, Susanne published the artcileInfrared spectra of substituted pyrazolones and some reflections on the hydrogen bonding OH. . .N, Name: 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is .

Disks of KBr were used to obtain spectra for 26 crystalline 5-pyrazolones, with simple alkyl or phenyl substitution in the pyrazolone ring. The region of interest was that of O-H, N-H, and double-bond stretching frequencies. The compounds with an aromatic character show a tautomeric equilibrium between a hydroxypyrazole structure and the zwitterion of the corresponding amide form. The mols. are associated through strong intermol. H bonds. Tautomeric equilibrium constants were estimated by using the spectral data and the known basic ionization constants

Spectrochimica Acta published new progress about Hydrogen bond. 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

Omar, Mohamed T. published the artcileA new synthetic route to 3-oxo-5-phenyl-2,3-dihydropyrazoles, Safety of 5-Phenyl-1H-pyrazol-3(2H)-one, the main research area is pyrazolone phenyl; phenylpyrazolone; hydrazine benzylidenethiazolidinedione rearrangement.

The reaction of RNHNH2 (R = H, Me) with benzylidenethiazolidinediones I (R1 = PhCH2, Et, allyl) gave the resp. pyrazolones II. I (R1 = PhCH2) was heated with PhNHNH2 in EtOH to give II (R = Ph) and addition product III; a mixture of III, pyridine, Et3N, and EtOH was refluxed 4 h to give II (R = Ph).

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

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

Gerecke, Max published the artcileNew tetracyclic derivatives of imidazo[1,5-a][1,4]benzodiazepines and of imidazo[1,5-a]thieno[3,2-f][1,4]diazepines, HPLC of Formula: 111562-32-4, the main research area is anxiolytic imidazobenzodiazepine imidazothienodiazepine preparation.

The synthesis of new tetracyclic 1,4-diazepine derivatives is described. In these compounds, an addnl. five-membered heterocycle is fused on the known tricyclic ring systems imidazo[1,5-a][1,4]benzodiazepine and imidazo[1,5-a]thieno[3,2-f][1,4]diazepine. Many of these new compounds display a very high affinity to the benzodiazepine receptor in mammals.

Heterocycles published new progress about Anxiolytics. 111562-32-4 belongs to class pyrazoles-derivatives, name is 2-(1H-Pyrazol-3-yl)aniline, and the molecular formula is C9H9N3, HPLC of Formula: 111562-32-4.

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

Janjic, Monika published the artcileA Simple Synthesis of 5-(2-Aminophenyl)-1H-pyrazoles, COA of Formula: C9H9N3, the main research area is aminophenylpyrazole multistep synthesis; pyrazole multistep aminophenyl synthesis; enamino ketone preparation cyclization hydrazine; nitrophenylpyrazole preparation hydrogenation.

A four-step synthesis of 1-substituted 5-(2-aminophenyl)-1H-pyrazoles as a novel type of histamine analog and versatile building blocks for further transformations was developed. The synthesis starts from com. available 2-nitroacetophenone, which is converted into the enamino ketone (E)-2-O2NC6H4COCH:CHNMe2 (I) as the key intermediate. Cyclization of the key intermediate (I) with monosubstituted hydrazines afforded the 5-(2-nitrophenyl)-1H-pyrazoles. Finally, catalytic hydrogenation of the nitro compounds furnished the title compounds in good yields. As demonstrated by some further transformations, addnl. functionalization of 5-(2-nitrophenyl)-1H-pyrazoles and 5-(2-aminophenyl)-1H-pyrazoles is feasible, either by electrophilic substitution at C(4) of the pyrazole ring, or at the NH2 group.

Helvetica Chimica Acta published new progress about Cyclization. 111562-32-4 belongs to class pyrazoles-derivatives, name is 2-(1H-Pyrazol-3-yl)aniline, and the molecular formula is C9H9N3, COA of Formula: C9H9N3.

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

Terent’ev, Alexander O. published the artcileSelective Oxidative Coupling of 3H-Pyrazol-3-ones, Isoxazol-5(2H)-ones, Pyrazolidine-3,5-diones, and Barbituric Acids with Malonyl Peroxides: An Effective C-O Functionalization, Application In Synthesis of 27412-71-1, the main research area is pyrazolone isoxazolone pyrazolidinedione barbituric acid malonyl peroxide oxidative coupling.

Oxidative functionalization of 3H-pyrazol-3-ones, isoxazol-5(2H)-ones, pyrazolidine-3,5-diones, and barbituric acids by malonyl peroxides results exclusively in C-O coupling products. Traditional hydroxylation, formation of carbonyl groups, or oxidative destruction of the heterocyclic ring are not observed Under optimized reactions conditions – fluorinated alcs. as activating medium and at room temperature (20 – 25°) – the selective C-O coupling proceeds in high yields (up to 94 %). The oxidative insertion into the enolizable C-H bond of the substrate is mechanistically viewed as a nucleophilic attack by the heterocycle onto the electrophilically activated malonyl peroxides. For heterocyclic substrates with an active methylene group – 3H-pyrazol-3-ones, isoxazol-5(2H)-ones, and barbituric acids – both C-H bonds are oxidized to afford double oxidative C-O coupling products in good yields (up to 72 %).

ChemistrySelect published new progress about C-O bond formation. 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

La Rosa, Salvatore published the artcileFused 3-Hydroxy-3-trifluoromethylpyrazoles Inhibit Mutant Huntingtin Toxicity, Quality Control of 637336-53-9, the main research area is hydroxytrifluoromethylpyrazole preparation SAR Huntingtons disease; 3-hydroxy-3-trifluoromethylpyrazoles; ADME; Huntington’s disease; R6/2 mouse model; mutant Htt toxicity; phenotypic screening.

Here, we describe the selection and optimization of a chem. series active in both a full-length and a fragment-based Huntington’s disease (HD) assay. Twenty-four thousand small mols. were screened in a phenotypic HD assay, identifying a series of compounds bearing a 3-hydroxy-3-trifluoromethylpyrazole moiety as able to revert the toxicity induced by full-length mutant Htt by up to 50%. A chem. exploration around the series led to the identification of compound (I), which demonstrated to be active in a Htt171-82Q rat primary striatal neuron assay and a PC12-Exon-1 based assay. This compound was selected for testing in R6/2 mice, in which it was well-tolerated and showed a pos. effect on body weight and a pos. trend in preventing ventricular volume enlargement. These studies provide strong rationale for further testing the potential benefits of 3-hydroxy-3-trifluoromethylpyrazoles in treating HD.

ACS Medicinal Chemistry Letters published new progress about Huntington disease. 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, Quality Control of 637336-53-9.

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

Ucuncu, Muhammed published the artcileA rare γ-pyranopyrazole skeleton: design, one-pot synthesis and computational study, Quality Control of 27412-71-1, the main research area is propiolic acid pyrazolone intramol cyclization; pyranopyrazole preparation chemoselective fluorescence reaction kinetics mechanism DFT.

Drawing upon a consecutive amide coupling and intramol. cyclization pathway, a one-pot, straightforward synthetic route was developed for a range of pyrazole fused γ-pyrone derivatives The reaction mechanism proposed for the chemoselective formation of γ-pyranopyrazole was furthermore fully supported by exptl. and computational studies.

Organic & Biomolecular Chemistry published new progress about Activation energy. 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