Category: 330792-70-6

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, SMILES is N#CC1=C(N)NN=C1C2=CC=C(OC3=CC=CC=C3)C=C2, belongs to pyrazoles-derivatives compound. In a document, author is El Kalai, Fouad, introduce the new discover, Safety of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile.

Synthesis, crystal structure, spectroscopic studies, NBO, AIM and SQMFF calculations of new pyridazinone derivative

A new pyridazinone derivative, (E)-ethyl 2-(5-(4-methylbenzyl)-6-oxo-3-styrylpyridazin-1(6H)-yl)acetate (2) has been synthesized and characterized by FT-IR, H-1- and C-13-NMR, ESI-MS. The (E)-configuration was confirmed by single-crystal X-ray diffraction. Theoretical B3LYP/6-31G* calculations have evidenced two stable C1 and C2 conformers where the structure of C2 form is in agreement with the corresponding experimental one. The difference in the energy values between both forms is 33.32 kJ/mol. The higher stability of C2 against C1 could probably be attributed to most negative NPA and Mulliken charges predicted on the O4 and O44 atoms of acetate groups of C2 form, as compared with C1. The calculated harmonic vibrational frequencies for C2 are consistent with their experimental ATR spectrum in the solid phase. The complete vibrational assignment of 153 vibration modes expected for C2 were performed by using the SQMFF methodology and a set of scaled force constants were also reported. C2 has revealed a higher reactivity than (E)-N’-4-methoxybenzylidene-5-methyl-1H-pyrazole-3-carbohydrazide. The Raman spectrum of both C1 and C2 forms of (2) in gas phase by using the B3LYP/6-31G* method were also predicted. Reasonable correlations are observed between the experimental and predicted H-1 and C-13 NMR and UV-Vis spectra. The intermolecular interactions in the crystal structure were analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots. (C) 2020 Elsevier B.V. All rights reserved.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. I hope my blog about 330792-70-6 is helpful to your research. Safety of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile.

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

Chemistry is an experimental science, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is , belongs to pyrazoles-derivatives compound. In a document, author is Zyuzin, I. N., Safety of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile.

Energetic Capabilities of N-Dinitro- and N-Trinitromethyl Derivatives of Nitroazoles as Composite Solid Propellant Components

In this paper, we study the energetic capabilities of four N-dinitro- and N-trinitromethyl derivatives of nitroazoles described in the literature as potential components of composite solid propellants. Using the thermodynamic calculations, some of the considered compounds are shown to have good potential for the creation of solid propellants with improved energy characteristics based on them. The quantitative dependences of the energetic parameters of the fuel on the properties of the studied oxidizer, the aluminum fraction in the composition, and the type and the content of binder are established.

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

Synthetic Route of 330792-70-6, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, SMILES is N#CC1=C(N)NN=C1C2=CC=C(OC3=CC=CC=C3)C=C2, belongs to pyrazoles-derivatives compound. In a article, author is Zimnitskiy, Nikolay S., introduce new discover of the category.

An expedient synthesis of novel spiro[indenoquinoxaline-pyrrolizidine]-pyrazole conjugates with anticancer activity from 1,5-diarylpent-4-ene-1,3-diones through the 1,3-dipolar cycloaddition/cyclocondensation sequence

Endo-1,3-Dipolar cycloaddition of azomethine ylides generatedin situfrom 11H-indeno[1,2-b]quinoxalin-11-one andl-proline/thiaproline to (E)-1,5-diarylpent-4-ene-1,3-diones led to the 3-hydroxy-3-aryl-1-(1 ‘-arylspiro[indeno[1,2-b]quinoxaline-11,3 ‘-(thia)pyrrolizidin]-2 ‘-yl)prop-2-en-1-ones containing the 1,3-diketone fragment. Upon processing of these adducts with arylhydrazine hydrochlorides in an acidic medium, the 2 ‘-(1,3-diaryl-1H-pyrazol-5-yl)-1 ‘-arylspiro[indeno[1,2-b]quinoxaline-11,3 ‘-pyrrolizidines] were formed as individual regioisomers. In a similar reaction with hydrazine hydrate and hydroxylamine, the corresponding hybrids bearing theN-unsubstituted pyrazole and isoxazole moieties were obtained. Most of spiro[indenoquinoxaline-pyrrolizidine]-N-arylpyrazole conjugates have shown high cytotoxic activity against the HeLa cancer cell line.

Synthetic Route of 330792-70-6, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 330792-70-6 is helpful to your research.

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

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Quality Control of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O, belongs to pyrazoles-derivatives compound. In a document, author is EL-mahdy, Kamelia M., introduce the new discover.

Easy preparation, characterization and reactions of new 8-chloro-7-formyl-4-oxo-2-phenyl-4H-pyrimido[1,2-a]pyrimidine-3-carbonitrile

8-Chloro-7-formyl-4-oxo-2-phenyl-4H-pyrimido[1,2-a]pyrimidine-3-carbonitrile (3) is constructed using N-(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl) acetamide (2) via Vilsmeier-Haack formylation reaction. Compound 3 reacted with 3-(triethoxysilyl)propan-1-amine under different conditions. Condensation of pyrimidopyrimidine 3 with thiosemicarbazone derivative gave Schiff base 8, which upon treating with Vilsmeier-Haack reagent afforded pyrazole carbothioamide 9. Cyclocondensation of compound 3 with some binucleophiles namely thiocarbohyrazide, hydrazine carbodithioic acid, benzyl hydrazinecarbodithioate and/or 2-thioxopyrimidinone was investigated. Structures of the new synthesized compounds were confirmed by their analytical and spectral data.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 330792-70-6. Quality Control of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile.

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

Chemistry is an experimental science, Category: pyrazoles-derivatives, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O, belongs to pyrazoles-derivatives compound. In a document, author is Ghaith, Eslam A..

Convenient Synthesis of Binary and Fused Pyrazole Ring Systems: Accredited by Molecular Modeling and Biological Evaluation

Binary and fused pyrazole ring systems have been synthesized through treatment of dehydroacetic acid (DHA) with different hydrazines. The geometrical studies were performed based on the density functional theory (DFT). This study assured the selectivity of chemical behavior of dehydroacetic acid towards binucleophilic reagent. Furthermore, the new synthesized compounds were evaluated antioxidant and anticancer agents.

Sometimes chemists are able to propose two or more mechanisms that are consistent with the available data. If a proposed mechanism predicts the wrong experimental rate law, however, the mechanism must be incorrect.Welcome to check out more blogs about 330792-70-6, in my other articles. Category: pyrazoles-derivatives.

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

Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O, belongs to pyrazoles-derivatives compound. In a document, author is Li, Huangong, introduce the new discover, Application In Synthesis of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile.

Targeted Synthesis of Anthranilic Diamides Insecticides Containing Trifluoroethoxyl Phenylpyrazole

Aseries of novel anthranilic diamides analogues(9a-9t) containing trifluoroethoxyl pyrazole moiety was designed and synthesized and their insecticidal bioactivities against Mythimna separata(Walker, M. separata) and Plutellaxylostella (P. xylostella) were evaluated. The structures of the title compounds were confirmed by H-1 NMR, C-13 NMR and HRMS. Preliminary insecticidal activities showed that some of the title compounds possessed good to excellent bioactivities towards M. separata and P. xylostella. Compounds 9c and 9t exhibited 100% mortality rate against M. separate at 0.2 mg/L. For the P. xylostella, the synthesized compounds(9c-9e, 9i and 9o) showed 70%, 80%, 75 %, 65% and 60% insecticidal activities at 1×10(-6) mg/L, respectively, higher than that of chlorantraniliprole(0). Based on excellent insecticidal activities, the mode of the action was tested by the calcium-imaging technique, the results of which demonstrated that the novel compounds shared the same target with chlorantraniliprole. The binding pose of the most active compound 9t in RyRs of P. xylostella was predicted by molecular docking, which showed that compound 9t interacted with the residues Glu140(A) and His147(A) via hydrogen bond.

Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law. In my other articles, you can also check out more blogs about 330792-70-6. Application In Synthesis of 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile.

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

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O. In an article, author is Rejnhardt, Piotr,once mentioned of 330792-70-6, Recommanded Product: 330792-70-6.

Crystal structure and vibrational spectra of salts of 1H-pyrazole-1-carboxamidine and its protonation route

Crystal structures of five salts of 1H-pyrazole-1-carboxamidine, PyCA, with various inorganic acids were determined, (HPyCA)Cl, (HPyCA)Cl center dot H2O, (HPyCA)Br, (HPyCA)(2)(I)I-3, and (HPyCA)HSO4. Theoretical calculations of the protonation route of PyCA showed that the cationic form present in the studied crystals is energetically privileged. Tautomeric equilibrium constants indicated two isomers as the most stable neutral forms. Calculations for two other tautomers failed resulting in pyrazole and carbodiimid tautomer of cyanamide. Such decomposition is important in a view of guanylation reaction. Hydrogen bonding patterns were studied by means of the graph-set approach. Similarities of the patterns in different crystal structures were demonstrated by the algebraic relations between descriptors of the patterns. The strength of hydrogen bonding network in the crystals was assessed analyzing vibrational spectra. The bands were assigned on the basis of theoretical calculations for the complex [(HPyCA)(2)Cl-4](2-) ion and potential energy distribution analysis. The strength of hydrogen bonds was set in the following ascending series (HPyCA)(2)(I)I-3 (4) < (HPyCA)Br (3) < (HPyCA)Cl (1) < (HPyCA)Cl center dot H2O (2) < (HPyCA)HSO4 (5). Interested yet? Keep reading other articles of 330792-70-6, you can contact me at any time and look forward to more communication. Recommanded Product: 330792-70-6.

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

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , Formula: C16H12N4O, 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O, belongs to pyrazoles-derivatives compound. In a document, author is Tairov, Maxim A., introduce the new discover.

Practical Synthetic Method for Functionalized 1-Methyl-3/5-(trifluoromethyl)-1H-pyrazoles

A new, high-yielding, and practical method for synthesis of 1-methyl-3-(trifluoromethyl)-1H-pyrazole and 1-methyl-5-(trifluoromethyl)-1H-pyrazole, key intermediates for important building blocks relevant to medicinal and agrochemistry, is developed. A one-step procedure for synthesis of the regioisomeric mixture of target pyrazoles was proposed starting from 4-ethoxy-1,1,1-trifluoro-3-buten-2-one. The procedure for separation of this mixture was elaborated on the basis of the boiling point vs pressure diagram analysis. The efficient synthetic strategies for regioisomeric building blocks bearing CF3 groups at the 3rd and 5th positions were demonstrated. A set of 1-methyl-3-(trifluoromethyl)-1H-pyrazoles containing such a functional group as aldehyde, acid, boron pinacolate, lithium sulfinate, and sulfonyl chloride was synthesized based on lithiation of 1-methyl-3-(trifluoromethyl)-1H-pyrazole in a flow reactor. Bromination of both 1-methyl-3-(trifluoromethyl)-1H-pyrazole and 1-methyl-5-(trifluoromethyl)-1H-pyrazole by NBS in mild conditions was performed. The introduction of the functional group at the 4th position of 1-methyl-5-(trifluoromethyl)-1H-pyrazole was illustrated by the optimized synthesis of the corresponding aldehyde and acid based on the Br-Li exchange in an appropriate bromide. Alternatively, the introduction of the functional group (acid and boron pinacolate) at the 5th position of 1-methyl-5-(trifluoromethyl)-1H-pyrazole was performed based on the direct ortho-metalation (DoM) reaction of 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole followed by catalytic reductive debromination.

A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 330792-70-6. Formula: C16H12N4O.

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

Electric Literature of 330792-70-6, Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. The appropriate choice of redox mediator can avoid electrode passivation and overpotential. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, SMILES is N#CC1=C(N)NN=C1C2=CC=C(OC3=CC=CC=C3)C=C2, belongs to pyrazoles-derivatives compound. In a article, author is Zhu Yue, introduce new discover of the category.

Synthesis and Biological Activities of Novel Pyrazole Oxime Derivatives Containing Benzotriazolyl Moiety

In search of new N-heterocyclic compounds possessing good biological activities, 17 novel pyrazole oxime derivatives were designed and synthesized by introducing benzotriazole moiety into pyrazole oxime skeleton based on fenpyroximate. Their structures were tested by H-1 NMR, C-13 NMR and elemental analysis. Preliminary bioassay data displayed that 3 compounds showed 70%similar to 100% insecticidal activities towards Tetranychus cinnabarinus at 20 mu g/mL. 6 compounds possessed 90%similar to 100% mortality rates towards Aphis medicaginis at 20 mu g/mL. Moreover, 16 compounds displayed more than 80% insecticidal activities against Mythimna separata (Walker) at 500 mu g/mL.

Electric Literature of 330792-70-6, The reactant in an enzyme-catalyzed reaction is called a substrate. Enzyme inhibitors cause a decrease in the reaction rate of an enzyme-catalyzed reaction.I hope my blog about 330792-70-6 is helpful to your research.

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

Chemistry is traditionally divided into organic and inorganic chemistry. The former is the study of compounds containing at least one carbon-hydrogen bonds. 330792-70-6, Name is 3-Amino-5-(4-phenoxyphenyl)pyrazole-4-carbonitrile, molecular formula is C16H12N4O, belongs to pyrazoles-derivatives compound, is a common compound. In a patnet, author is Bansal, K. K., once mentioned the new application about 330792-70-6, Formula: C16H12N4O.

Synthesis of thiazole clubbed pyrazole derivatives as apoptosis inducers and anti-infective agents

Fourteen N-[{(substituted-phenylthiazol-2-yl)-3-aryl-1H-pyrazol-4-yl}methylene]-5-substituted-thiazol-2-amine (5a-n) analogs were synthesized by the reaction of 3-aryl-1-(thiazol-2-yl)-1H-pyrazole-4-carbaldehyde and substituted thiazole amines. The structures of prepared compounds were delineated by elemental analysis, FT-IR and H-1 NMR spectra. These analogs were scrutinized for in vitro antiinfective and cytotoxic activities. Some thaizole clubbed pyrazole derivatives were assessed for their cytological changes in germ cells of Capra hircus by using histomorphological analysis, fluorescence assay and apoptosis quantification. Compound 51 having 4-NO2 substituent induced the significant apoptosis in tested cells of Capra hircus. The results revealed that compounds 5c, 5e, 5k, and 51 have commendable antibacterial activity within MIC range of 62.5-250 mu g/ml. Compound 5c emerged as a potent antimalarial compound by exhibiting IC50 value of 0.23 mu g/ml and compound 5j induced paralysis of Pherentima posthuma at 8.6 +/- 1.94 min and death at 20 +/- 5.04 min, respectively. Compound 5j revealed an excellent cytotoxicity at IC50 value of 30.7 and < 10 mu g/ml against MCF-7 and HeLa cells, respectively. Individually, compounds 5c, 5j and 51 could be considered as promising anti-infective and cytotoxic compounds. (C) 2020 Elsevier Ltd. All rights reserved. We¡¯ll also look at important developments in the pharmaceutical industry because understanding organic chemistry is important in understanding health, medicine, 330792-70-6. The above is the message from the blog manager. Formula: C16H12N4O.

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