Month: April 2021

Chemistry can be defined as the study of matter and the changes it undergoes. You¡¯ll sometimes hear it called the central science because it is the connection between physics and all the other sciences, starting with biology. 110-03-2, Name is 2,5-Dimethyl-2,5-hexanediol, molecular formula is , belongs to pyridazines compound. In a document, author is Khistiaeva, Viktoria V., Recommanded Product: 110-03-2.

Heteroleptic beta-diketonate Ln(iii) complexes decorated with pyridyl substituted pyridazine ligands: synthesis, structure and luminescence properties

A substituted pyridazine was used to construct a family of mononuclear heteroleptic complexes [Ln(tta)(3)(dppn)], Ln = Pr-Lu; Htta = thenoyltrifluoroacetone; dppn = 3,6-di(2-pyridyl)pyridazine. All the complexes obtained were characterized by CHN elemental analysis, NMR spectroscopy, ESI mass spectrometry, FTIR spectroscopy and single crystal X-ray analysis. The photophysical properties of lanthanide complexes were carefully investigated, and the dppn ligand was found to act as a chromophore centre to sensitize metal-centred emission of the Nd, Sm, Eu, and Yb complexes under UV excitation. It has been shown that a powder sample of the Eu complex can contain two isomers with somewhat different symmetries of the environment of the metallocentre. The mechanism for the emission of luminescent Nd, Sm, Eu, and Yb complexes was investigated by TDDFT calculations and the results confirmed the conclusion made on the basis of experimental data regarding the likely pathway of energy transfer from the chromophore centre to the emissive level of Ln(iii).

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 110-03-2, in my other articles. Recommanded Product: 110-03-2.

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

 

One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, such as the rate of change in the concentration of reactants or products with time. 375-72-4, Name is 1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonyl fluoride, formurla is C4F10O2S. In a document, author is Abu-Hashem, Ameen Ali, introducing its new discovery. Formula: C4F10O2S.

Synthesis and antimicrobial activity of new 1,2,4-triazole, 1,3,4-oxadiazole, 1,3,4-thiadiazole, thiopyrane, thiazolidinone, and azepine derivatives

4-oxo-4-phenylbutanehydrazide3was reacted with aryl or alkyl isothiocyanates to give the correspondingN-substituted-2-(4-oxo-4-phenylbutanoyl) hydrazine-1-carbothioamide4a-c. Cyclization of thiosemicarbazides4a-cwith sodium hydroxide led to the formation of 3-(4-sub-5-thioxo-1,2,4-triazol-3-yl)-propanone5a-c. Desulfurization of thiosemicarbazides4a-cby mercuric oxide afforded 3-(5-(sub-amino)-1,3,4-oxadiazol-2-yl)-propanone6a-c. The reaction of4a-cwith phosphorus oxychloride gave 3-(5-(sub-amino)-1,3,4-thiadiazol-2-yl)-propanone7a-c. Treatment of4a-cwith ethyl-bromoacetate or alpha-bromopropionic acid gaveN ‘-(3-sub-thiazolidin-2-ylidene)-butanehydrazide8a-cand (N ‘-(3-sub-oxothiazolidin-2-ylidene)-butanehydrazide9a-c. Chlorination of oxothiazolidine-hydrazide9a-cby phosphorus oxychloride affordedN-(3-sub-4-oxothiazolidine)-butane-hydrazonoyl-chloride10a-c. The reaction of10a-cwith mercaptoacetyl-chloride yielded 2-((4-benzoyl-thiopyrane) hydrazono)-3-sub-thiazolidinone11a-c. Also, reacted of10a-cwith hydrazine hydrate affordedN ”-(3-sub-oxothiazolidine)-butane-hydrazon-hydrazide12a-c. The 3-sub-2-((pyridazine) hydrazono) thiazolidinone13a-cwas obtained by cyclization of12a-cvia refluxing in DMF. The reaction and cyclized of9a-cwith chloroacetyl-chloride in ethanolic KOH afforded 1-((3-sub-4-oxothiazolidine) amino)-azepine-dione14a-c. The chemical structures of the new compounds have been confirmed by diverse spectroscopy analyses such as IR, NMR, MS, and elemental analysis. The synthesized compounds were tested for their antimicrobial activity and these compounds were considered (Pyridazin-hydrazono-thiazolidinone13a-c, oxothiazolidin-azepinedione14a-c,N-thiazolidin-hydrazon-hydrazide12a-c, and thiopyran-hydrazono-thiazolidinone11a-c) the most effective as antimicrobial activity.

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

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 920-66-1, Name is 1,1,1,3,3,3-Hexafluoropropan-2-ol, molecular formula is C3H2F6O. In an article, author is Chen, Yan-Mei,once mentioned of 920-66-1, Safety of 1,1,1,3,3,3-Hexafluoropropan-2-ol.

Theoretical Insights into Modification of Nitrogen-Donor Ligands to Improve Performance on Am(III)/Eu(III) Separation

Nitrogen-donor ligands have been considered to be promising agents for separating trivalent actinides (An(III)) from lanthanides (Ln(III)). Thereinto, how to decorate these ligands for better extraction performance is urgent to design perfect separating extractants. In this work, we systematically explored a series of heterocyclic N-donor ligands (L-1 = dipyridazino[4,3-c:3′,4′-h]acridine, L-2 = dipyridazino[3,4-a:4′,3′-j]phenazine, L-3 = 2,6-di(cinnolin-3-yl)pyridine)), as well as their substituted derivatives, and compared their extraction and complexation ability toward An(III) and Ln(III) ions by using quasi-relativistic density functional theory (DFT). We found that the pyridazine N atoms probably play a notable role in electron donation to metal cations by molecular orbital (MO) and bond order analyses. Besides, the calculated results clearly verified that these N-donor ligands possess higher coordination affinity toward Am(III) over Eu(III). The rigid ligands (L-1 and L-2) exhibit higher selective abilities for the Am(III)/Eu(III) separation compared with that of the flexible ligand (L-3). For each ligand, the 1:2 (metal/ligand) extraction reaction is predicted to be most probable in the separation process. The introduction of an alkyl group on the lateral chain or an electron-donating group on the main chain gives rise to a better extraction performance of the ligands, and the CyMe4 or MeO substituted ligands show higher extraction and separation ability. Simultaneous introduction of CyMe4 and MeO groups can enhance the extraction ability of the ligand to metal ions, but the separating ability depends on the differences of the extraction capacity of An(III) and Ln(III). This work can help to gain a more in-depth understanding the selectivity differences of similar N-donor ligands and provide more theoretical insights into the design of novel extractants for An(III)/Ln(III) separation.

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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. 375395-33-8, Name is N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide, SMILES is CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O, in an article , author is El-Badry, Yaser Abdel-Moemen, once mentioned of 375395-33-8, Product Details of 375395-33-8.

Efficient 1,3,4-Thiadiazole-4,5-dihydropyridazin-3(2H)-ones as Antimicrobial Agents

A set of novel series of 1,3,4-thiadiazolyl-sulfanyl-4,5-dihydropyridazin-3(2H)-ones with anticipated antimicrobial activity has been synthesized. The synthetic protocol of the targeted compounds was accomplished by treating beta-aroylacrylic acid 1 with 5-amino-1,3,4-thiadiazole-2-thiol (2) to afford the thia-Michael adduct 3. Afterwards, the obtained thia-Michael adduct 3 was cyclized to 4,5-dihydropyridazin-3(2H)-ones 4a-d and the non-cyclized product hydrazone 5 by using different hydrazines. Moreover, adduct 3 was reacted with esters like diethyl malonate and ethyl acetoacetate affording 1,3,4-thiadiazolobutanamides 6a, b. Furthermore, the concurrent reaction of later butamides 6a, b with the hydrazine derivatives furnished thiadiazolopyridazin-3(2H)-ones 7a-d, 8, and butanoic acid 9.

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

 

Reference of 103-85-5, 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. 103-85-5, Name is 1-Phenylthiourea, SMILES is S=C(N)NC1=CC=CC=C1, belongs to pyridazines compound. In a article, author is Yang, Tianyu, introduce new discover of the category.

Synthesis of CF3-Substituted 1,6-Dihydropyridazines by Copper-Promoted Cascade Oxidation/Cyclization of Trifluoromethylated Homoallylic N-Acylhydrazines

A highly efficient strategy for the construction of CF3-substituted 1,6-dihydropyridazines has been developed by cascade oxidation/cyclization of trifluoromethylated N-acylhydrazines. The produced 1,6-dihydropyridazines could be easily transformed to 3-trifluoromethyl pyridazine derivatives. Some of the 1,6-dihydropyridazines exhibited aggregation-induced emission (AIE). DFT calculations were conducted to explain the mechanism.

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

 

In an article, author is Avdeev, Ya. G., once mentioned the application of 102-08-9, Name is N,N’-Diphenylthiourea, molecular formula is C13H12N2S, molecular weight is 228.31, MDL number is MFCD00004921, category is pyridazines. Now introduce a scientific discovery about this category, Computed Properties of C13H12N2S.

Nitrogen-containing six-membered heterocyclic compounds as corrosion inhibitors for metals in solutions of mineral acids – A review

The current state of studies on metal protection from corrosion in mineral acid solutions by six-membered N-containing heterocyclic compounds is reviewed. Literature data on the protection of various metals in acid solutions by these compounds are summarized. The specific features of their protective action mechanism are discussed. The feasibility of metal protection by formulations containing these compounds, even in high-temperature corrosion, is noted. N-Containing six-membered heterocyclic compounds are prone to adsorption on metal surfaces from mineral acid solutions. Based on the free adsorption energy values of these corrosion inhibitors (CIs) on metal surfaces, it can be deemed with high probability that they are mostly bound to a metal by physical forces, but upon adsorption on its surface they slow down the cathodic and anodic reactions, and eventually inhibit its corrosion. Compounds containing S atoms or bulky substituents are most interesting. These compounds are adsorbed on metals more strongly and behave as more efficient CIs. It often happens that such CIs hinder metal corrosion in HCl solutions but do it much more weakly in H2SO4, HClO4, and H3PO4. A known method for improving the protective effect of N-containing six-membered heterocyclic CIs in these media involves combining them with anionic additives, e. g., halide or rhodanide anions. The heterocycles discussed behave as CIs in cold solutions but lose these properties at higher temperatures. Examples of the use of six-membered N-containing heterocycles as CIs of various steels and non-ferrous metals (Al, Cu, Sn, Zn and their alloys) are available in literature. The industrial application of individual six-membered N-containing heterocycles and their derivatives for metal protection in acid media is of little promise and is unjustified. It is more appropriate to use these compounds as components of inhibitor mixtures. Mixed CIs containing these compounds can hinder corrosion even in such corrosive media as high-temperature HCl solutions or hot H3PO4 solutions. The base for creating prospective mixed corrosion inhibitors for metals in acids should be searched for among six-membered heterocyclic compounds containing two or more nitrogen atoms or compounds obtained from natural raw materials. The bibliography includes 150 references.

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

 

Chemistry is the experimental and theoretical study of materials on their properties at both the macroscopic and microscopic levels. 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, molecular formula is C8H5F3O2. In an article, author is Hashem, Heba E.,once mentioned of 455-24-3, Safety of 4-(Trifluoromethyl)benzoic acid.

Synthesis of new annulated pyridazine derivatives and studying their antioxidant and antimicrobial activities

Benzil was reacted with cyanoacetohydrazide under microwave irradiation to give 3-oxo-5,6-diphenyl-2,3-dihydropyridazine-4-carbonitrile 1 which used as starting material for the synthesis of new heterocyclic compounds. Chlorination of pyridazinone 1 with POCl3 afforded the chloro-pyridazine derivative 3, which then condensed with 2-aminothiazole or hydrazine hydrate to produce 3,4-diphenyl-5H-thiazolo[3 ‘,2 ‘:1,2]pyrimido[4,5-c]pyridazin-5-one 5 or 3-hydrazinyl-5,6-diphenylpyridazine-4-carbonitrile 6, respectively. New Schiff bases were obtained by condensation reactions of compound 6 with different aldehydes. On the other hand, compound 6 reacted with different carbon electrophiles naming acetyl acetone, diethyl malonate, and phenyl isothiocyanate producing new pyarazolo-pyridazine derivatives 11, 12, and 14, respectively. Chemical structures of all newly synthesized compounds were confirmed on the basis of spectral data and had been screened for antimicrobial and antioxidant activity.

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

 

Chemistry is an experimental science, Recommanded Product: 4-Pyridazinecarboxylic Acid, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 50681-25-9, Name is 4-Pyridazinecarboxylic Acid, molecular formula is C5H4N2O2, belongs to pyridazines compound. In a document, author is Zhao, Meng-Yao.

Understanding the driving force for the molecular recognition of S6-corona[3]arene[3]pyridazine toward organic ammonium cations

The molecular recognition of S-6-corona[3]arene[3]pyridazine toward various N-alkyl ammonium cations was systematically studied by means of ITC titration, NMR spectroscopy, mass spectrometry and X-ray crystallography. As a powerful and selective macrocyclic host molecule, S-6-corona[3]arene[3]pyridazine was able to form dominantly 1:1 complexes with cations in a mixture of CH3CN and 1,2-dichloroethane (v:v = 1:1) giving association constants in the range of (1.08 +/- 0.01)x10(3) M-1 to (1.48 +/- 0.11)x10(5) M-1. In all cases, the favorable host-guest complexation processes were driven by the combination of beneficial enthalpy and entropy effects. While the enthalpy effect was attributable to the multiple non-covalent bond attractions such as lpe/, / and nonconventional hydrogen bonds between host and guest, the entropy increase was most likely due to the desolvation of the guests.

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

 

Related Products of 39825-33-7, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 39825-33-7, Name is H-Ala-OiPr, SMILES is C[C@H](N)C(OC(C)C)=O, belongs to pyridazines compound. In a article, author is Imran, Mohd, introduce new discover of the category.

Biologically Active Pyridazines and Pyridazinone Derivatives: A Scaffold for the Highly Functionalized Compounds

Pyridazine and pyridazinone are heterocycles that contain two adjacent nitrogen atoms and shown wide range of pharmacological activities such as antimicrobial, antidepressant anti-hypertensive, anticancer, antiplatelet, antiulcer, herbicidal, antifeedant and various other anticipated biological activities. Pyridazine ring are present in some commercially available drugs and agrochemicals. Pyridazine based systems have been shown to have numerous practical applications.

Related Products of 39825-33-7, 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 39825-33-7.

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. 4949-44-4, Name is Ethyl 3-oxopentanoate, SMILES is CCC(CC(OCC)=O)=O, in an article , author is El Assiri, El Hassan, once mentioned of 4949-44-4, Recommanded Product: Ethyl 3-oxopentanoate.

Development and validation of QSPR models for corrosion inhibition of carbon steel by some pyridazine derivatives in acidic medium

Statistical modeling of the corrosion inhibition process by twenty-one pyridazine derivatives for mild steel in acidic medium was investigated by the quantitative structure property relationship (QSPR) approach. This modeling was established by the correlation between the corrosion inhibition efficiency (IE %) and a number of the electronic and structural properties of these inhibitors such as: the E-HOMO (highest occupied molecular orbital energy), the E-LUMO (lowest unoccupied molecular orbital energy), the energy gap (EL-H), the dipole moment (mu), the hardness (eta), the softness (sigma), the absolute electronegativity (chi), the ionization potential (IP), the electron affinity (EA), the fraction of electrons transferred (Delta N), the electrophilicity index omega the molecular volume (V-m), the logarithm of the partition coefficient (Log P), and the molecular mass (M), in addition to the inhibitor concentration (C-i). The structure electronic properties was calculated by the use of the density functional theory method (DFT), at B3LYP/6-31G (d, p) level of theory and the analysis of dimensionality and redundancy as well as the test of collinearity between descriptors are carried out using principal component analysis (PCA). Whereas, the correlation between EI % and molecular structure is performed through the development of tree mathematical models, based-QSPR approaches: the partial least squares regression (PLS), the principal component regression (PCR) and the artificial neural networks (ANN). Indeed, the statistical quantitative results revealed that PCR and ANN were the most relevant and predictive models in comparison with the PLS model. This pertinence was demonstrated by using leave one-out cross-validation as an efficient method for testing the internal stability and predictive capability of said models with a high cross-validated determination coefficient R-cv(2)= 0.92 and predicted determination coefficient R-pred(2) = 0.92 and R-pred(2) = 0.90 for PCR and ANN respectively; in addition to an extrapolation test set as an external validation with a significant external coefficient of determination: R-test(2) = 0.94 and R-test(2) = 0.92, for the two correspondingly models.

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