Category: 3310-35-8

Electric Literature of C4H6N2OOn October 1, 2003 ,《New 1-substituted 4-cinnamoyl-5-hydroxypyrazoles and precursors thereof: Synthesis, ring closure reactions and NMR-spectroscopic investigations》 was published in Heterocycles. The article was written by Holzer, Wolfgang; Krca, Ingrid. The article contains the following contents:

Reaction of 1-substituted 5-hydroxy-1H-pyrazoles (pyrazolones) with trans-cinnamoyl chloride/calcium hydroxide in dioxane affords the corresponding 4-cinnamoyl-5-hydroxy-1H-pyrazoles. Cyclization of the latter into 5,6-dihydropyrano[2,3-c]pyrazol-4-ones proceeds in very low yields upon treatment with concentrated sulfuric acid. 1,6-Diphenyl-1H-pyrano[2,3-c]pyrazol-4-one was synthesized by reaction of 4-acetyl-5-hydroxy-1-phenyl-1H-pyrazole with benzoyl chloride and lithium bis(trimethylsilyl)amide and subsequent cyclization of the thus obtained 1,3-diketone. NMR-spectroscopic investigations with the obtained 4-substituted 5-hydroxypyrazoles and their precursors regarding their tautomeric behavior in various solvents are presented. The cyclocondensation of (2E)-1-[5-hydroxy-3-methyl-1-(phenylmethyl)-1H-pyrazol-4-yl]-3-phenyl-2-propen-1-one gave 3-methyl-6-phenyl-1-(phenylmethyl)-1H-pyrano[2,3-c]pyrazol-4-one, however in only 2% yield. In the experiment, the researchers used 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8Electric Literature of C4H6N2O)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Electric Literature of C4H6N2O

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

HPLC of Formula: 3310-35-8On September 30, 2007 ,《Quantum-chemical study of the structure and reactivity of pyrazol-5-ones and their thio and seleno analogs: X. 1-methylpyrazol-5-one and its thio and seleno analogs in H-complex formation reactions in the gas phase and in solutions》 was published in Russian Journal of General Chemistry. The article was written by Chmutova, G. A.; Ismagilova, E. R.; Shamov, G. A.. The article contains the following contents:

The effects of specific solvation and self-association of chalcogenpyrazol-5-ones are assessed using nonempirical quantum-chem., d. functional theory (DFT), and MP2 second-order perturbation theory methods. The formation of H-complexes with water, methanol, and DMSO stabilizes all tautomeric forms, the NH tautomers of all hetero analogs being the most affected. The NH tautomers form with water 1:2 complexes which reveal cooperativity. The complexes of chalcogenpyrazolones with DMSO are more stable than the resp. complexes with water, and, therewith, the extra stabilization in continuum is less pronounced than in the case of hydration. Quant., the effects of tautomer self-association compare with the effects of interaction of chalcogenpyrazolones with proton-donor solvents. The results came from multiple reactions, including the reaction of 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8HPLC of Formula: 3310-35-8)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. HPLC of Formula: 3310-35-8

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

Product Details of 3310-35-8On May 31, 2001, Chmutova, G. A.; Kurbangalieva, A. R.; Vedernikov, A. N. published an article in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii). The article was 《Quantum-chemical studies of the structure and reactivity of pyrazol-5-ones and their thio and seleno analogs: V. Effect of electron correlation on tautomerism and acidity of 1-methylheteropyrazolones》. The article mentions the following:

The relative stability of tautomeric forms of 1-methyl-substituted heteropyrazolones (O, S, Se) and their gas-phase acidity were estimated by DFT calculations with various basis sets and methods of geometry optimization. The electron correlation effects make an appreciable contribution to the Gibbs free energies of their tautomers and anions, especially those containing the heavy atoms. The qual. pattern of tautomerism in pyrazolones is essentially similar to that obtained by semiempirical and nonempirical RHF calculations: the most stable is the CH form. For hetero analogs, consideration of electron correlations effects increases the relative stability of SH (SeH) forms. The series of relative acidity of the compounds depending on the heteroatom is preserved (Se ≥ S >> O). The experimental part of the paper was very detailed, including the reaction process of 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8Product Details of 3310-35-8)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Product Details of 3310-35-8

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

《Quantum-chemical study of the structure and reactivity of pyrazol-5-ones and their thio and seleno analogs. III. Semiempirical calculations of the structure and acid-base properties of 1-methyl-4H-pyrazol-5-one, -thione, and -selenone》 was written by Chmutova, G. A.; Kurbangalieva, A. R.; Kuznetsova, L. S.; Movchan, A. I.. Formula: C4H6N2O And the article was included in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii) on August 31 ,1997. The article conveys some information:

Tautomerism and acid-base properties of 1-methyl-4H-pyrazol-5-one and its thio and seleno analogs were studied by the semiempirical quantum-chem. methods MNDO, AM1, and PM3. The CH form prevails in pyrazolone, whereas the EH forms (E = S, Se) prevail in hetero analogs. The calculations predict an increase in the gas-phase acidity in the series O < S < Se. The gas-phase basicity of these compounds does not change in such a regular manner. After reading the article, we found that the author used 2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8Formula: C4H6N2O)

2-Methyl-1H-pyrazol-3(2H)-one(cas: 3310-35-8) belongs to pyrazoles. Pyrazole derivatives have been reported to exhibit a wide range of applications in medicinal chemistry and pharmacology. A large number of drugs incorporating pyrazole structure have been utilized as partial agonists for nicotinic acid receptors, antidepressants, antimicrobial agents, antiviral agents, and antifungal agents solely or along with the combination of other structural motifs.Formula: C4H6N2O

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