Category: pyridazines

Electric Literature of 2231-57-4, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a article, author is Saraswat, Mayank, introduce new discover of the category.

Thermal unimolecular reactivity pathways in dehydro-diazines radicals

In this work, we investigated the detailed reactivity of dehydro-diazine radicals through unimolecular dissociation pathways. Aromatic six-membered rings with two nitrogens as heteroatoms are classified as diazines, which include pyrimidine 1, pyridazine 2, and pyrazine 3. The C-H bond scission in pyrimidine, pyridazine, and pyrazine leads to three (1a-1c), two (2a and 2b), and one (3a) radical isomers, respectively. Through quantum chemical calculations, reactivity aspects of all the six radical isomers have been investigated by considering different modes of unimolecular reactions. On the basis of the computations at (U)B3LYP/cc-pVTZ, (U)M06-2X/cc-pVTZ, and (U)CCSD(T)/cc-pVTZ//(U)B3LYP/cc-pVTZ levels of theory and analysis, we found out that ring-opening pathways were kinetically more favorable compared with isomerization (1,2-H shift) pathways or C-H bond dissociation leading to biradicals. In all the cases, ring-opening via C-N bond cleavage has a lower energy barrier compared with C-C bond cleavage owing to the stabilizing interaction between radical electron and the nitrogen lone pair. Moreover, the unimolecular decomposition channels can lead to several fragmentation products, which are interesting in the astrochemical context. On the basis of these investigations and also the impact of three centered-five electrons (3c-5e) interactions on the reactivity aspects, we determined the kinetic stability order among the six isomeric dehydrodiazine radicals.

Electric Literature of 2231-57-4, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 2231-57-4.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry, like all the natural sciences, begins with the direct observation of nature¡ª in this case, of matter.2231-57-4, Name is Carbonothioic dihydrazide, SMILES is NNC(NN)=S, belongs to pyridazines compound. In a document, author is Ghosh, Biswa Nath, introduce the new discover, Recommanded Product: Carbonothioic dihydrazide.

Mononuclear and dinuclear trimethylplatinum(IV) iodide complexes of 3-substituted pyridines

Reaction of tetrameric trimethylplatinum(IV) iodide with an excess of 3-substituted pyridines in chloroform afforded mononuclear complexes, [PtMe3L2I] (L = 3-CNpy, 3-Brpy, 3-MeOpy, 3-Mepy and 3-Etpy). The complexes were characterized by H-1 NMR, CHN analysis and X-ray single crystal structure analysis. The mononuclear complexes undergo reaction with trimethylplatinum(IV) iodide in chloroform to form the corresponding dinuclear forms (both syn and anti). A comparison of both the mononuclear and dinuclear forms in solution for a particular pyridine substituent has been studied in detail with the help of H-1 NMR spectroscopy, ably supported by DFT computational studies. The investigation further shows the influence of the pyridine substituent on controlling the mode of the reaction. The crystal structures of two dinuclear complexes, syn-[PtMe3(3-CNpy)I](2) and anti-[PtMe3(3-Brpy)I](2), have also been described here.

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 2231-57-4 is helpful to your research. Recommanded Product: Carbonothioic dihydrazide.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Application of 110-03-2, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 110-03-2, Name is 2,5-Dimethyl-2,5-hexanediol, SMILES is CC(C)(O)CCC(C)(C)O, belongs to pyridazines compound. In a article, author is Duvall, Bridget, introduce new discover of the category.

Allosteric kidney-type glutaminase (GLS) inhibitors with a mercaptoethyl linker

A series of allosteric kidney-type glutaminase (GLS) inhibitors possessing a mercaptoethyl (-SCH2CH2-) linker were synthesized in an effort to further expand the structural diversity of chemotypes derived from bis-2-(5-phenylacetamido-1,3,4-thiadiazol-2-yl)ethyl sulfide (BPTES), a prototype allosteric inhibitor of GLS. BPTES analog 3a with a mercaptoethyl linker between the two thiadiazole rings was found to potently inhibit GLS with an IC50 value of 50 nM. Interestingly, the corresponding derivative with an n-propyl (-CH2CH2CH2-) linker showed substantially lower inhibitory potency (IC50 = 2.3 mu M) while the derivative with a dimethylsulfide (-CH2SCH2-) linker showed no inhibitory activity at concentrations up to 100 mu M, underscoring the critical role played by the mercaptoethyl linker in the high affinity binding to the allosteric site of GLS. Additional mercaptoethyl-linked compounds were synthesized and tested as GLS inhibitors to further explore SAR within this scaffold including derivatives possessing a pyridazine as a replacement for one of the two thiadiazole moiety.Y

Application of 110-03-2, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 110-03-2.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 88-17-5, Name is 2-(Trifluoromethyl)aniline, SMILES is NC1=CC=CC=C1C(F)(F)F, in an article , author is Sinha, Nidhi, once mentioned of 88-17-5, Category: pyridazines.

Electron impact ionisation cross-sections for complex molecules

The main goal of this work is to compute the total ionisation cross-section for electron scattering from various complex molecules. The targets chosen are pyridazine, alanine, glycine, benzoic acid, phenylacetylene, ethylbenzene and n-propylbenzene. There is no previous literature available for these molecules except for pyridazine, alanine and glycine, and hence we present the first report of their ionisation cross-section. We apply the complex scattering potential-ionisation contribution (CSP-ic) method to compute the cross-sections from the respective ionisation threshold to 5000 eV. The result for the pyridazine molecule shows an excellent agreement with the available experimental data and binary encounter-Bethe (BEB) cross-sections. In the absence of any experimental comparison for other molecules, we have also calculated their BEB ionisation cross-sections. These two methods are well known for giving reasonable estimates of the ionisation cross-sections. The CSP-ic method is based on the molecular structure and properties, while the BEB method deals with molecular orbitals. Thus, comparing the two results will check the accuracy of these theoretical models and further increase the credibility of the reported cross-section. In general, fairly good agreement is observed between the two results. However, any inconsistencies observed are backed by valid reasons.

Interested yet? Read on for other articles about 88-17-5, you can contact me at any time and look forward to more communication. Category: pyridazines.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 19430-93-4, Name is 3,3,4,4,5,5,6,6,6-Nonafluorohex-1-ene, SMILES is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F, in an article , author is Gonzalez, Lucia, once mentioned of 19430-93-4, Formula: C6H3F9.

Two-Dimensional Arrangements of Bis(haloethynyl)benzenes Combining Halogen and Hydrogen Interactions

The electronic distribution of some haloethynylbenzene derivatives may favor the formation of two-dimensional organizations by combining halogen and hydrogen bonds. In order to highlight this strategy, we have prepared seven cocrystals and analyzed their structures. 1,4-Bis(iodoethynyl)benzene, 1,4-bis(bromoethynyl)benzene, and 1,3-bis(iodoethynyl)benzene were used as halogen bond donors and 1,2-bis(4-pyridyl)ethylene, pyridazine, propanone, hexamethylenetetramine, and 2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine (Trogers base) were employed as halogen bond acceptors. The crystal structures of seven halogen-bonded complexes show CX…..Y (X = I, Br; Y = N, O) distances shorter than the sum of the van der Waals radii, and six of them contain the edge-to-edge CH….X (X = I, Br) supramolecular hydrogen bond synthon. The stabilization energies with basis set superposition error correction of hydrogen bond synthons have been determined by DFT calculations, and they are in the range 2.9 to 5.7 kcalmol(-1). To gain a deeper understanding of these interactions, noncovalent interaction methodology was also applied.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 19430-93-4, you can contact me at any time and look forward to more communication. Formula: C6H3F9.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Fadda, Ahmed A., once mentioned the application of 401-78-5, Name is 3-Bromobenzotrifluoride, molecular formula is C7H4BrF3, molecular weight is 225.0059, MDL number is MFCD00000380, category is pyridazines. Now introduce a scientific discovery about this category, COA of Formula: C7H4BrF3.

Derivational, Structural, and Biological Studies of Some New Pyrazolyl, Isoxazolyl, Pyrimidinyl, Pyridazinyl, and Pyridopyridazinyl from 4-Substituted Antipyrine

(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbono-hydrazonoyl dicyanide was used as a key intermediate for the synthesis of novel pyrazole, isoxazole, pyrimidine, and pyridazine derivatives. The newly synthesized compounds were characterized by elemental analyses and spectral data (IR, H-1-NMR, C-13-NMR, and mass spectra). The compounds were tested for their in vitroantibacterial activity against Gram-positive bacteria as (Staphylococcus aureus and Bacillus subtilis) and Gram-negative bacteria (Pseudomonas aeruginosa and Escherichia coli). The investigated compounds were tested against two strains of fungi Botrytis fabae and Fusarium oxysporum using diffusion agar technique. The biological results showed clearly that most of the synthesized compounds revealed mild to moderate activity against the used microorganisms.

Do you like my blog? If you like, you can also browse other articles about this kind. Thanks for taking the time to read the blog about 401-78-5, COA of Formula: C7H4BrF3.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 73963-42-5, Name is 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole, SMILES is ClCCCCC1=NN=NN1C2CCCCC2, belongs to pyridazines compound. In a document, author is Dampc, Marcin, introduce the new discover, Quality Control of 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole.

Electron impact ionization and cationic fragmentation of the pyridazine molecules

Electron impact mass spectroscopy was used to investigate ionization and cationic fragmentation of the pyridazine (1,2 diazine), C4H4N2, molecules in the gas phase. The mass spectra were measured and the observed mass peaks assigned to the corresponding cations. The appearance energies of most of the cationic fragments were determined and the possible fragmentation processes are discussed. The total cross section for electron impact ionization of pyridazine was calculated using the binary-encounter-Bethe (BEB) model. The calculated cross section was applied to normalize the measured cation yield curves and total and partial cross sections for ionization and cationic fragmentation were obtained over the energy range from the respective ionization thresholds to 140 eV.

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 73963-42-5 is helpful to your research. Quality Control of 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, HPLC of Formula: C4H4ClN3, 5469-69-2, Name is 3-Amino-6-chloropyridazine, SMILES is C1=C(N=NC(=C1)Cl)N, belongs to pyridazines compound. In a document, author is Abu-Hashem, Ameen A., introduce the new discover.

Synthesis of New Isoxazole-, Pyridazine-, Pyrimidopyrazines and their Anti-Inflammatory and Analgesic Activity

Background: Isoxazoles, pyridazines, and pyrimidopyrazines have recently attracted attention due to their potent pharmacological activities. They exhibited anticancer, neuroprotective, analgesic and anti-inflammatory effects. Objective: The study aimed to synthesize novel isoxazoles, pyridazines, and pyrimidopyrazines through efficient high yield protocol for evaluating their analgesics and anti-inflammatory activities. Method: A series of novel isoxazole-, pyridazine-, pyrimidopyrazine derivatives was prepared from 5,8-alkyl-1,3-dimethyl-5,6-dihydropynmido[5,6-e]pyrazine-2,4,7-trione (1a,b) as the starting material. Results: The prepared derivatives were synthesized in moderate to good yields (60-75%) in a stepwise efficient protocol under mild condition. These new compounds have been proven by several spectroscopic techniques as IR, 1D and 2D NMR techniques and mass analysis. The in vivo anti-inflammatory was assessed for the synthesized compounds using carrageenan-induced rat hind paw edema model. Also, the in vivo analgesic activity for these products was examined utilizing hot-plate and acetic acid-induced writhing response assays. Conclusion: The isoxazole derivatives (3a-f) showed the most forceful anti-inflammatory and analgesic activities. Pyrimidopyrazines (4a-f) demonstrated weaker but comparable antiinflammatory and analgesic activities to the positive controls.

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 5469-69-2. HPLC of Formula: C4H4ClN3.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry is the experimental science by definition. We want to make observations to prove hypothesis. For this purpose, we perform experiments in the lab. , HPLC of Formula: C6H13NO2, 39825-33-7, Name is H-Ala-OiPr, molecular formula is C6H13NO2, belongs to pyridazines compound. In a document, author is Desai, Vani R., introduce the new discover.

Photophysical Properties of a Novel and Biologically Active 3(2H)-Pyridazinone Derivative Using Solvatochromic Approach

Herein, we report photophysical properties of a novel and biologically active 3(2H)-pyridazinone derivative 5-(4-chloro-2-hydoxy-phenyl)-2-phenyl-2H-pyridazin-3-one [CHP] molecule using solvatochromic approaches. Absorption and fluorescence spectra of CHP molecule have been measured at room temperature in various solvents of different polarities. From this, it is observed that the positions, intensities and shapes of the absorption and emission bands are usually modified. Experimentally, the ground and excited state dipole moments are estimated using solvatochromic shift method which involves Lippert’s, Bakshiev’s and Kawski-Chamma-Viallet’s equations. Theoretically, the ground state dipole moment was estimated using the Gaussian-09 program. The value of ground state dipole moment estimated using experimental and theoretical methods are well correlated. This inference that the molecular geometry is taken for CHP molecule under theoretical and experimental methods are similar. Further, we observed that the excited state dipole moment (mu (e) ) is greater than the ground state dipole moment (mu (g) ) which indicates that the excited state is more polar than the ground state. Furthermore, we have estimated an angle between the ground and excited state dipole moments. In addition, we have estimated the fluorescence quantum yield of CHP molecule using Rhodamine B as a standard reference in different solvents.

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 39825-33-7. HPLC of Formula: C6H13NO2.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

In an article, author is Comba, Peter, once mentioned the application of 375395-33-8, HPLC of Formula: C27H54F6N2O4S2, Name is N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide, molecular formula is C27H54F6N2O4S2, molecular weight is 648.85, MDL number is MFCD08275364, category is pyridazines. Now introduce a scientific discovery about this category.

Optimization of Hexadentate Bispidine Ligands as Chelators for Cu-64(II) PET Imaging

The coordination chemistry of the hexadentate bispidine ligand L-1 with three pyridine, one pyridazine, and two tertiary amine donors with Cu-II and Zn-II is reported. The substitution of one of the two cis-disposed pyridine donors in-plane with the two tertiary amines of the bispidine backbone by a pyridazine group was predicted to substantially reduce distortion from planarity of the tetradentate subunit and therefore was assumed to lead to higher Cu-II complex stability. The X-ray single-crystal structures of the Zn-II and Cu-II complexes, which are in excellent agreement with the DFT- and MM-optimized structures, confirmed this prediction but indicated that deviation from planarity is appreciable. This also emerges from solution spectroscopy (UV/Vis/NIR and EPR of the Cu-II complex), which indicated that the in-plane ligand field is only slightly increased. The geometric parameters together with the lower basicity of pyridazine versus pyridine (pK(a) =2.33 vs. 5.23) are also in agreement with an only slightly more negative redox potential of the Cu-II/I couple (E degrees= 780 vs. 760 mV, MeCN, vs. Fc/Fc(+)), and the potentiometrically determined Cu-II stability constant with L-1 is slightly lower than that with the parent ligand L-2 (log K=12.7 vs. 14.5). Therefore, modification of the donor groups is a more promising approach to increasing the stabilities of these complexes and yields Cu-64(II) chelators that outperform known hexadentate bispidine ligands.

If you are interested in 375395-33-8, you can contact me at any time and look forward to more communication. HPLC of Formula: C27H54F6N2O4S2.

Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem