Month: March 2021

The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. Safety of 2,2,2-Trifluoroacetohydrazide, 1538-08-5, Name is 2,2,2-Trifluoroacetohydrazide, SMILES is NNC(=O)C(F)(F)F, in an article , author is Xiong, Bi-Tao, once mentioned of 1538-08-5.

Simulation studies of the characteristics of nitrogen-containing additive molecules for solar cells

Dye-sensitized solar cells (DSSC) are of great scientific significance and application prospect and have attracted wide public concern since they were first reported. The charge recombination in the interface of the DSSC nanocrystalline electrode is thought as a critical issue affecting the DSSC’s performance improvement; however, few systematic studies have been carried out to investigate the effect of the electrolyte additives on the charge recombination suppressing. It is reported that the electrolyte additives can enhance the DSSC short-circuit current. In this work, five typical nitrogen-containing six-element heterocyclic additives used in DSSC were researched theoretically at the B3LYP/6-311G** computational level to elucidate the effects of electrolyte additives on DSSC performance. The five additives were pyridine, pyridazine, pyrimidine, pyrazine and 1,3,5-triazine named as A1-A5, respectively. Their molecular properties, some of which are molecule structures, geometrical configurations, dipole moments, charge distributions, vibrational frequencies and frontier orbitals, were calculated and discussed and their effects on DSSC performance were analyzed theoretically. The results showed an enhanced conjugation effect with the increased number of nitrogen atoms in the conjugated rings of A1-A5 molecules and A1-A5 molecules could bond stably onto the electrode surfaces through the coordination bonding of the N atoms. For the electrolyte additives A1-A5-based DSSC devices, open-circuit voltages and light-to-energy conversion efficiencies increased. This work can be helpful to explain the mechanism of charge recombination suppressing of electrolyte additives for DSSC and offers the potential for future development of high-performance DSSC.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 1538-08-5, you can contact me at any time and look forward to more communication. Safety of 2,2,2-Trifluoroacetohydrazide.

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

 

Application 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 Zivkovic, Marija D., introduce new discover of the category.

Hydrolysis of the Amide Bond in L-Methionine- and L-Histidine-Containing Dipeptides in the Presence of Dinuclear Palladium(II) Complexes with Benzodiazines Bridging Ligands

H-1 NMR spectroscopy was applied to study the catalytic activity of dinuclear Pd(II)-aqua complexes with different benzodiazine bridging ligands, [{Pd(en)(H2O)}(2)(mu-qx)](4+)(Pd1), [{Pd(en)(H2O)}(2)(mu-qz)](4+)(Pd2) and [{Pd(en)(H2O)}(2)(mu-phtz)](4+)(Pd3) (qx, qz and phtz denote quinoxaline, quinazoline and phthalazine, respectively), in the hydrolytic cleavage of the amide bond inN-acetylated L-methionylglycine (Ac-L-Met-Gly) and L-histidylglycine (Ac-L-His-Gly) dipeptides. All reactions were investigated with an equimolar amount of the reactants at pH = 2.0-2.5 in D2O and at 37 degrees C. The obtained data for the catalytic activity ofPd1-Pd3complexes are compared with those previously reported for [{Pt(en)(H2O)}(2)(mu-L)](4+)(L denotes benzodiazine: qx, qz and phtz), [{Pd(en)(H2O)}(2)(mu-L)](4+)and [{Pt(en)(H2O)}(2)(mu-L)](4+)(L denotes diazine: pyrazine and pyridazine) complexes. It was found that catalytic activity of these complexes in peptide cleavage is strongly related to the position of the nitrogen atoms in the benzodiazine or diazine bridging ligand. The investigated dinuclear Pd(II) and Pt(II) complexes show catalytic activity in the selective hydrolysis of the Met-Gly amide bond of Ac-L-Met-Gly dipeptide. Moreover, all the above mentioned Pd(II) complexes were also able to catalyze the regioselective hydrolysis of the His-Gly amide bond of Ac-L-His-Gly dipeptide. However, in the reaction with Ac-L-His-Gly, only Pt(II) aqua complexes containing bridging ligands with two nitrogen atoms in thepara-position (quinoxaline and pyrazine) were able to cleave this dipeptide.

Application of 103-85-5, 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 103-85-5 is helpful to your research.

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

 

Electric Literature of 73963-42-5, 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. 73963-42-5, Name is 5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole, SMILES is ClCCCCC1=NN=NN1C2CCCCC2, belongs to pyridazines compound. In a article, author is Wang Shuqin, introduce new discover of the category.

Synthesis and Bioactive Evaluation of Pyridazino-[6,1-b]quinazolinones Derivatives

Novel nitrogen-containing heterocyclic scaffold pyridazino[6,1-b]quinazolinones were designed by the combination of two privileged structure units. Then a scheme for the synthesis of pyridazino[6,1-b]quinazolinone derivatives in 4 steps starting from methyl 2-aminobenzoate was developed in which the intramolecular condensation of acylhydrazone with ester was a key step transformation. 14 pyridazino[6,1-b]quinazolinone derivatives were synthesized and their structures were characterized and comfirmed by H-1 NMR, C-13 NMR and HRMS. Their in vitro cytotoxic activities against a panel of human tumor cell lines (SK-OV-3, CNE-2, MGC-803, NCI-H460) and nomal liver cell LO2 were evaluated via methyl thiazolyl tetrazolium (MTT) assay. The result indicated that 2-(4-bromophenyl)-4-hydroxy-10H-pyridazino[6,1-b]quinazolin-10-one (4b) and 2-(3-chlorophenyl)-4-hydroxy-10H-pyridazino [6,1-b]quinazolin-10-one (4d) exhibted very potent cytotoxic activity. The IC50 value of 4b against CNE-2 and 4d against NCI-H460 cell line lowed to 0.85 and 2.31 mu mol/L, respectively, far potent than the positive control cisplatin and almost equivalent to the natrual anticancer medicine camptothecin. Ultraviolet spectrometry and fluorescence titration assay were carried out to evaluate the ability of the compound to interact with DNA. The result indicated that they were able to intercalate in to DNA. Compound 4d, which demonstrated potent antitumor activity while less cytotoxicity against the normal liver cell LO2, could arrest cell, cycle at G1 phase and significantly induce apoptosis on NCI-H460 cell in a dose-dependent manner, while 4b which exhibit potent cytotoxicity against LO2, could result in significant DNA double strand break when treated with the cell.

Electric Literature of 73963-42-5, 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 73963-42-5.

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. 375395-33-8, Name is N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide, formurla is C27H54F6N2O4S2. In a document, author is Turkett, Jeremy A., introducing its new discovery. Safety of N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide.

Synthesis of Substituted 6,7-Dihydro-5H-pyrrolo[2,3-c]pyridazines/pyrazines via Catalyst-Free Tandem Hydroamination-Aromatic Substitution

Herein, we report an efficient and operationally simple synthesis of 6,7-dihydro-5H-pyrrolo[2,3-c]pyridazines and 6,7-dihydro-5H-pyrrolo[2,3-b]pyrazines via a tandem hydroamination-SNAr sequence that makes use of mild reagents under catalyst-free conditions in moderate to high yields. This chemistry expands the known scope of pyridazine/pyrazine chemistry and can be applied toward the synthesis of novel drug-like molecules with favorable bioactivity and pharmacokinetic properties.

If you are hungry for even more, make sure to check my other article about 375395-33-8, Safety of N-Methyl-N,N-dioctyloctan-1-aminium bis((trifluoromethyl)sulfonyl)amide.

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. 920-66-1, Name is 1,1,1,3,3,3-Hexafluoropropan-2-ol, formurla is C3H2F6O. In a document, author is Albratty, Mohammed, introducing its new discovery. Recommanded Product: 920-66-1.

Synthesis and evaluation of some new 1,3,4-oxadiazoles bearing thiophene, thiazole, coumarin, pyridine and pyridazine derivatives as antiviral agents

In an attempt to produce heterocyclic compounds based on 1,3,4-oxadiazole derivatives with potential antiviral activity, synthesis of compound 1 [2-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol2-yl)acetonitrile] was performed through the reaction of cyanoacetic acid hydrazide with carbon disulfide in alcoholic potassium hydroxide. Compound 1 has an activating methylene group, so it was directed toward some specific reactions. Thus, aryldiazonium chlorides reacted with compound 1 affording hydrazono derivatives 2a-c. Also, aromatic aldehydes reacted with compound 1 to produce compounds 3a, b. Furthermore, cyclic ketones were-subjected to the synthesis of fused thiophene derivatives 4a, b via reaction with compound 1 in the presence of elemental sulfur. In addition, 1,3,4-oxadiazole derivative 1, when r eacted with isothiocyanates, salicylaldehyde or 1,3-dicarbonyl compounds, formed thiazole derivatives 5a, b, coumarin derivative 6 and alkenyl derivatives 7a, b resp. Compound 7b underwent cyclization to afford pyridine derivative 8. Arylhydrazono derivatives 9a, b were produced through the reaction of compound 7a with aryldiazonium chlorides. Products 9a, b u nderwent cyclization to produce pyridazine derivatives 10a, b. Finally, 1,3,4-oxadiazole derivative 1 was directed toward reaction with hydrazine derivatives, bromoacetophenone and ethylchloroacetate affording compounds 11a, b, 12 and 13, resp. Fused thiophene derivatives 14a, b were produced via reaction of compounds 4a, b with a mixture of malononitrile and ethylorthoformate. Antiviral activity of the synthesized products showed that 5-(4-amino-3-ethyl-2-thioxo-2,3-dihydrothiazol-5-yl)-1,3,4-oxadiazole-2(3H)-thione (5a) and 5-(4-amino-3-phenyl-2-thioxo-2,3-dihydrothiazol-5-yl)1,3,4-oxadiazole-2(3H)-thione (5b) acted as the most active agents against Feline herpes virus, Feline corona virus, Herpes simplex virus-1 and Herpes simplex virus-2, whereas compound 2-(5-(2-phenyl-hydrazono)4,5-dihydro-1,3,4-oxadiazol-2-yl)acetonitrile (11b) was the most effective against Vaccinia virus, Herpes simplex virus (TK-KOS-ACVr), Coxsackie virus B4 and Vesicular stomatitis virus.

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

 

Related Products of 455-24-3, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, SMILES is C1=C(C=CC(=C1)C(O)=O)C(F)(F)F, belongs to pyridazines compound. In a article, author is Slimi, A., introduce new discover of the category.

Molecular Design of D–A-A Organic Dyes Based on Triphenylamine Derivatives with Various Auxiliary Acceptors for High Performance DSSCs

In this work, 11 newly designed organic dyes with D–A-A structure based on a 3D triphenylamine derivative known as indacenodithiophene-triphenylamine (IDTTPA) as a core, benzoic acid as the anchoring group and linked by various spacer fragments containing electron-acceptor character have been theoretically studied using density functional theory (DFT) and time-dependent DFT (TD-DFT) for dye-sensitized solar cells (DSSCs). This three-dimensional structure is very important in retarding dyes aggregation and charge recombination, besides enhancing the power conversion efficiency (PCE) of DSSC, we have further employed various auxiliary acceptors to facilitate the electron transfer from the donor to the acceptor. Seven different functionals containing 0-100% Hartree-Fock (HF) exchange and three solvent models have been tested in this study. Comparison between computational and experimental absorption of D1 indicates that the maximum wavelength was accurately reproduced by a BHandHLYP functional and solvation model based on density (SMD) solvent model. The molecular structures, energy levels, absorption spectra, light harvesting efficiency (LHE) and driving force of injection (G(inject)) are calculated. To sum up, these results indicate that the addition of an auxiliary acceptor into the core of the dye molecule has a significant effect on several properties including the planarity showed in this investigation, the decreasing in gap energy of 1.15eV, and a bathochromic shift of 180nm. It was found that the dye D4 with auxiliary acceptor 1,2,5-thiadiazolo[3,4-d]pyridazine shows a strong tendency to planarization, and possess the lowest values for bandgap of and open-circuit photovoltage 1.544eV and 0.733eV, respectively, the highest Ginject value (-1.23eV) and a maximum wavelength absorption of 608.85nm, which makes this dye exhibits positive results and can be used as a promising candidate for DSSCs.

Related Products of 455-24-3, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 455-24-3 is helpful to your research.

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. 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, SMILES is C1=C(C=CC(=C1)C(O)=O)C(F)(F)F, in an article , author is Gospodinov, Ivan, once mentioned of 455-24-3, Category: pyridazines.

The Pyridazine Scaffold as a Building Block for Energetic Materials: Synthesis, Characterization, and Properties

In the present studies, the synthesis of new energetic materials based on the pyridazine scaffold and their characterization is the main subject. For this purpose, desired 3,5-dimethoxy-4,6-dinitropyridazine-1-oxide (7) was synthesized in the first instance. The persubstituted pyridazine precursor laid the groundwork for further preparative modification. The targeted functionalization through the regioselective introduction of various smaller amine nucleophiles such as methylamine or 2-aminoethanol gave several new energetic materials. Among them are 3,5-bis(methylamino)-4,6-dinitropyridazine-1-oxide (8), 3,5-bis(methylnitramino)-4,6-dinitropyridazine-1-oxide (9), 3,5-bis(dimethylamino)-4,6-dinitropyridazine-1-oxide (10), and 3,5-bis((2-hydroxyethyl)amino)-4,6-dinitropyridazine-1-oxide (11). With the aim of increasing the detonation performance, compound 8 was additionally nitrated and 3,5-bis(methylnitramino)-4,6-dinitropyridazine-1-oxide (9) was obtained. These new energetic materials were characterized and identified by multinuclear NMR (H-1, C-13, N-14, N-15) and IR spectroscopy, elemental analysis and mass spectrometry. In addition, their sensitivities toward impact, friction and electrostatic discharge were thoroughly examined. Furthermore, obtained single-crystals of the substances were characterized by low-temperature single-crystal X-ray diffraction.

Interested yet? Read on for other articles about 455-24-3, you can contact me at any time and look forward to more communication. Category: pyridazines.

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

 

Chemistry is an experimental science, Name: 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 Shah, Shaheen.

Quantum chemical investigation on photodegradation mechanisms of sulfamethoxypyridazine with dissolved inorganic matter and hydroxyl radical

Sulfamethoxypyridazine (SMP) is one of the commonly used sulfonamide antibiotics (SAs). SAs are mainly studied to undergo triplet-sensitized photodegradation in water under natural sunlight with other coexisting aquatic environmental organic pollutants. In this work, SMP was selected as a representative of SAs. We studied the mechanisms of triplet-sensitized photodegradation of SMP and the influence of selected dissolved inorganic matter, i.e., anions (Br-, Cl-, and NO3-) and cations ions (Ca2+, mg(2+), and Zn2+) on SMP photodegradation mechanism by quantum chemical methods. In addition, the degradation mechanisms of SMP by hydroxyl radical (OH center dot) were also investigated. The creation of SO2 extrusion product was accessed with two different energy pathways (pathway-1 and pathway-2) by following two steps (step-I and step-II) in the triplet sensitized photodegradation of SMP. Due to low activation energy, the pathway-1 was considered as the main pathway to obtain SO2 extrusion product. Step-II of pathway-1 was measured to be the rate-limiting step (RLS) of SMP photodegradation mechanism and the effect of the selected anions and cations was estimated for this step. All selected anions and cations promoted photodegradation of SMP by dropping the activation energy of pathway-1. The estimated low activation energies of different degradation pathways of SMP with OH center dot radical indicate that OH center dot radical is a very powerful oxidizing agent for SMP degradation via attack through benzene derivative and pyridazine derivative ring. (C) 2016 The Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V.

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 50681-25-9. Name: 4-Pyridazinecarboxylic Acid.

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

 

Catalysts are substances that increase the reaction rate of a chemical reaction without being consumed in the process. 88-17-5, Name is 2-(Trifluoromethyl)aniline, SMILES is NC1=CC=CC=C1C(F)(F)F, belongs to pyridazines compound. In a document, author is Cheung, Atwood K., introduce the new discover, Name: 2-(Trifluoromethyl)aniline.

Discovery of Small Molecule Splicing Modulators of Survival Motor Neuron-2 (SMN2) for the Treatment of Spinal Muscular Atrophy (SMA)

Spinal muscular atrophy (SMA), a rare neuromuscular disorder, is the leading genetic cause of death in infants and toddlers. SMA is caused by the deletion or a loss of function mutation of the survival motor neuron 1 (SMN1) gene. In humans, a second closely related gene SMN2 exists; however it codes for a less stable SMN protein. In recent years, significant progress has been made toward disease modifying treatments for SMA by modulating SMN2 pre-mRNA splicing. Herein, we describe the discovery of LMI070/branaplam, a small molecule that stabilizes the interaction between the spliceosome and SMN2 pre-mRNA. Branaplam (1) originated from a high-throughput phenotypic screening hit, pyridazine 2, and evolved via multiparameter lead optimization. In a severe mouse SMA model, branaplam treatment increased full-length SMN RNA and protein levels, and extended survival. Currently, branaplam is in clinical studies for SMA.

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 88-17-5 is helpful to your research. Name: 2-(Trifluoromethyl)aniline.

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

 

Chemistry is an experimental science, COA of Formula: C8H5F3O2, and the best way to enjoy it and learn about it is performing experiments.Introducing a new discovery about 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, molecular formula is C8H5F3O2, belongs to pyridazines compound. In a document, author is Huo, Hengrui.

Formal [3+3] Cycloaddition Reactions between Electron-Deficient Cyclopropenes and Hydrazones: A Route to Alkyl 1,4,5,6-Tetrahydropyridazine-3-carboxylates

A formal [3 + 3] cycloaddition reaction between alkyl 2-aroyl-1-chlorocyclopropanecarboxylates 1 and common hydrazones 2 was developed. This process readily proceeded in diastereo- and regioselective fashion and gave alkyl 1,4,5,6-tetrahydropyridazine-3-carboxylates in high yields under mild basic conditions. Treatment of the annulation products with DDQ leads to the formation of functionalized pyridazine-3-carboxylates, analogues of nicotinic acid ester.

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 455-24-3, in my other articles. COA of Formula: C8H5F3O2.

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