Heterocyclic Building Blocks-Pyridazine

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, 4949-44-4, Name is Ethyl 3-oxopentanoate, SMILES is CCC(CC(OCC)=O)=O, in an article , author is Schnel, Anne, once mentioned of 4949-44-4, Application In Synthesis of Ethyl 3-oxopentanoate.

Mechanistic studies of an L-proline-catalyzed pyridazine formation involving a Diels-Alder reaction with inverse electron demand

The mechanism of an L-proline-catalyzed pyridazine formation from acetone and aryl-substituted tetrazines via a Diels-Alder reaction with inverse electron demand has been studied with NMR and with electrospray ionization mass spectrometry. A catalytic cycle with three intermediates has been proposed. An enamine derived from L-proline and acetone acts as an electron -rich dienophile in a [4 + 2] cycloaddition with the electron-poor tetrazine forming a tetraazabicyclo[2.2.2]octadiene derivative which then eliminates N-2 in a retro-Diels-Alder reaction to yield a 4,5-dihydropyridazine species. The reaction was studied in three variants: unmodified, with a charge-tagged substrate, and with a charge-tagged proline catalyst. The charge -tagging technique strongly increases the ESI response of the respective species and therefore enables to capture otherwise undetected reaction components. With the first two reaction variants, only small intensities of intermediates were found, but the temporal progress of reactants and products could be monitored very well. In experiments with the charge-tagged L-proline-derived catalyst, all three intermediates of the proposed catalytic cycle were detected and characterized by collision -induced dissociation (CID) experiments. Some of the CID pathways of intermediates mimic single steps of the proposed catalytic cycle in the gas phase. Thus, the charge-tagged catalyst proved one more time its superior effectiveness for the detection and study of reactive intermediates at low concentrations.

But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 4949-44-4, you can contact me at any time and look forward to more communication. Application In Synthesis of Ethyl 3-oxopentanoate.

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

 

Reference of 5469-69-2, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 5469-69-2, Name is 3-Amino-6-chloropyridazine, SMILES is C1=C(N=NC(=C1)Cl)N, belongs to pyridazines compound. In a article, author is Zhang, Chenghong, introduce new discover of the category.

Strategies to Mitigate the Bioactivation of Aryl Amines

The bioactivation of xenobiotics to yield reactive metabolites can lead to tolerability and toxicity concerns within a drug discovery program. Development of strategies for mitigating the metabolic liability of commonly encountered toxicophores, such as anilines, relies on an understanding of the relative tendency of these functionalities to undergo bioactivation. In this report, we present the first systematic study of the structure-activity relationships of the bioactivation of aryl amine fragments (molecular weight < 250 Da) using a glutathione (GSH) trapping assay in the presence of human liver microsomes and the reduced form of nicotinamide adenine dinucleotide phosphate. This study demonstrates that conversion of anilines to nitrogen-containing heteroarylamines results in a lower abundance of GSH conjugates in the order phenyl > pyrimidine approximate to pyridine > pyridazine. Introduction of electron-withdrawing functionality on the aromatic ring had a less pronounced effect on the extent of GSH conjugation. Examination of more drug-like compounds sourced from in-house drug discovery programs revealed similar trends in bioactivation between matched pairs containing (hetero)aryl amines. This study provides medicinal chemists with insights and qualitative guidance for the minimization of risks related to aryl amine metabolism.

Reference of 5469-69-2, 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 5469-69-2 is helpful to your research.

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

 

In an article, author is Angeles Pujante-Galian, Maria, once mentioned the application of 110-03-2, Computed Properties of C8H18O2, Name is 2,5-Dimethyl-2,5-hexanediol, molecular formula is C8H18O2, molecular weight is 146.23, MDL number is MFCD00004473, category is pyridazines. Now introduce a scientific discovery about this category.

p-Cymene Complexes of Ruthenium(II) as Antitumor Agents

In this work, the cytotoxic behavior of six ruthenium(II) complexes of stoichiometry [(eta(6)-p-cymene)RuCl2L] (I-VI), L = 4-cyanopyridine (I), 2-aminophenol (II), 4-aminophenol (III), pyridazine (IV), and [(eta(6)-p-cymene)RuClL2]PF6; L = cyanopyridine (V), L = 2-aminophenol(VI) towards three cell lines was studied. Two of them, HeLa and MCF-7, are human carcinogenic cells from cervical carcinoma and human breast cancer, respectively. A comparison with healthy cells was carried out with BGM cells which are monkey epithelial cells of renal origin. The behavior of complex II exhibits selectivity towards healthy cells, which is a promising feature for use in cancer treatment since it might reduce the side effects of most current therapies.

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

 

Chemistry, like all the natural sciences, Formula: C7H6F3N, begins with the direct observation of nature¡ª in this case, of matter.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 Song, Wenxuan, introduce the new discover.

Imidazo[1,2-b]pyridazine as Building Blocks for Host Materials for High-Performance Red-Phosphorescent Organic Light-Emitting Devices

A novel electron-transporting unit, imidazo [1,2-b]pyridazine (IP), was first reported for developing host materials. The IP moiety possesses excellent electron-transporting ability and great thermal stability. Using carbazole as p-type units and IP as n-type units, several bipolar host materials, namely, IP6Cz, IP68Cz, IP36Cz, and IP368Cz, were developed through altering the substitution site of the IP core. Among these four materials, 6-site-substituted IP6Cz and 6,8-site-substituted IP68Cz exhibit the best electroluminescence (EL) performance. IP6Cz- and IP68Cz-based red phosphorescent organic light-emitting diodes using Ir(pq)(2)acac as the emitter exhibit extremely high EL efficiency with the maximum external quantum efficiency (eta(ext,max)) of 26.9 and 25.2% and an insignificant efficiency roll-off. Moreover, IP6Cz- and IP68Cz-based deep-red devices doped by Ir(piq)(2)acac also show satisfactory EL performance with a eta(ext,max) of 20.5 and 19.9%, respectively. The influence of different substitution sites of the IP core on the photophysical and electrochemical properties was systematically investigated. This study demonstrates that IP could be a first-rate electron-transporting unit for bipolar materials for red-emitting devices.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 88-17-5. Formula: C7H6F3N.

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

 

In an article, author is Tang, Li-Hua, once mentioned the application of 455-24-3, Name is 4-(Trifluoromethyl)benzoic acid, molecular formula is C8H5F3O2, molecular weight is 190.12, MDL number is MFCD00002562, category is pyridazines. Now introduce a scientific discovery about this category, Product Details of 455-24-3.

Heteroleptic ruthenium(II) 2,2 ‘-bipyridine complexes incorporating substituted pyrazol-1-yl-pyridazine ancillaries

Condensation of 3,6-dichloropyridazine or 3,6-dichloro-4,5-dimethyl- pyridazine with 3-methyl-1H-pyrazole or 4-methyl-1H-pyrazole with the assistance of sodium metal in tetrahydrofuran at reflux afforded three 3,6-bis(pyrazolyl)- pyridazine-type ligands: 3,6-bis(3-methylpyrazolyl)pyridazine (L1), 3,6-bis(4-methyl- pyrazolyl)pyridazine (12) and 4,5-dimethyl-3,6-bis(4-methylpyrazolyl)pyridazine (L3). Reactions of cis-[RuCl2(bpy)(2)]center dot 2H(2)O (bpy= 2,2’-bipyridine) and L1, L2 or L3 in the presence of NH4PF6 produced the heteroleptic cationic ruthenium(II) complexes [Ru(L1)(bpy)(2)] (PF6)(2)(1), [Ru(L2)(bpy)(2)](PF6)(2) (2) and [Ru(L3)(bpy)(2)](PF6)(2) (3), respectively. The three complexes have been characterized by UV/Vis and luminescence spectroscopy. The crystal structures of 1 center dot EtOH, 2 center dot EtOH and 3 have been determined by single-crystal X-ray diffraction.

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

 

A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, Computed Properties of C7H4BrF3, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 401-78-5, Name is 3-Bromobenzotrifluoride, molecular formula is C7H4BrF3. In an article, author is Yuan, Kun,once mentioned of 401-78-5.

Noncovalent interactions between O-6-corona[6]arene nanorings and fullerenes C-60 and C-70: atypical ring ball-shaped host-guest systems

The host-guest complexes formed with quasi-triangle-shaped O-6-corona[3]arene[3]tetrazine (T) or O-6-corona[3]arene[3]pyridazine (P) nanorings as hosts and sphere-like fullerene C-60 or C-70 as guests were investigated by density functional theory calculations with solvent effect (toluene, polarizable continuum model) being taken into account. Although the triangle-shaped host has no geometric advantage for the fullerene recognition, the stable P@C-60 (C-70) and T@C-70 have been experimentally detected. Therefore, on the point view of geometry features, O-6-corona[6]arenes@C-60 (C-70) can be regarded as a kind of atypical nano-sized host-guest systems. The geometry optimizations showed that fullerenes are not deeply encapsulated into the cavity of hosts O-6-corona[6]arenes but in a floating position on the cavities of hosts. The correlation between the binding energy (Delta E-cp) and cavity size of the host manifests that the steric effect between host and guest is the decisive factor to determine the thermodynamic stability. The thermodynamic information indicates that the host-guest binding processes are exothermic, enthalpy driven, and entropy opposed. Qualitative analysis based on the frontier orbital features shows that the recognition contributions brought by electron effect of charge transfer stabilization between the fullerene and the O-6-corona[6]arene nanorings can be basically excluded. Fluorescence emission spectroscopy of the free O-6-corona[6]arene molecules and their host-guest complexes formed with fullerenes (C-60 or C-70) were simulated by using time-dependent density functional theory. Additionally, the host-guest interaction regions were detected and visualized in real space based on the electron density and reduced density gradient. Furthermore, Hirshfeld surface analysis was used for the investigation on the O-6-corona[6]arenes@C-60 (C-70) host-guest interactions.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Application of 50681-25-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 50681-25-9, Name is 4-Pyridazinecarboxylic Acid, SMILES is N1=NC=C(C=C1)C(=O)O, belongs to pyridazines compound. In a article, author is Fan, Mingxuan, introduce new discover of the category.

Pyridazine-Containing Diazatwistanthracene and Tetraazatwisttetracene: Synthesis, Crystal Structures and Third Order Non-linear Optical Properties

In this paper, two pyridazine-heterocycles-containing azaacenes 9,12-diphenylphenanthro[4,5-fgh]phthalazine (DPPA) and 2,9-di-tert-butyl-4,7,11,14-tetraphenylpyridazino[4′,5′:9,10] phenanthro[4,5-fgh]phthalazine (TPPA) have been synthesized and fully characterized. The single crystal analysis of TPPA showed that TPPA molecule exhibits a twisted structure with the dihedral angel of 27 degrees between pyrene and pyridazine unit, which suppresses the pi-pi stackings in the solid state. The two-photon absorption properties of DPPA and TPPA were investigated, respectively, by using the femtosecond Z-scan technique. The results showed that both DPPA and TPPA showed moderate two-photon absorption cross-section values, and the larger one was found to be 454 GM with TPPA. Obviously, the introduction of pyridazine ring into the skeleton of acenes forming a A-D-A structure could lead to a much larger two-photon absorption coefficient and two-photon absorption cross section.

Application of 50681-25-9, 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 50681-25-9 is helpful to your research.

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

 

Chemistry, like all the natural sciences, SDS of cas: 375395-33-8, begins with the direct observation of nature¡ª in this case, of matter.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, belongs to pyridazines compound. In a document, author is Pattison, Graham, introduce the new discover.

Polysubstituted and ring-fused pyridazine systems from tetrafluoropyridazine

Tetrafluoropyridazine 1 reacts with a range of oxygen-, nitrogen-, sulfur- and carbon-centred nucleophiles to give, in general, products 2 arising from substitution of fluorine para to ring nitrogen. Subsequent reaction of the trifluoropyridazine derivatives 2 gave a range of 4,5-di-and tri-substituted products 3 and 6. Related reactions of tetrafluoropyridazine 1 with difunctional nucleophiles gave [6,6]-, [5,6]-and [6,5,61-polycyclic ring fused pyridazine scaffolds 4 and 9. Further functionalisation of scaffolds 4 by nucleophlic aromatic substitution processes involving displacement of fluorine atoms at activated sites ortho to ring nitrogen provide an indication of the synthetic possibilities offered using tetrafluoropyridazine as a starting material for the preparation of polysubstituted pyridazine and novel polyfunctional ring fused pyridazine systems with potential applications in the drug discovery arena. (C) 2016 Elsevier Ltd. All rights reserved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 375395-33-8. SDS of cas: 375395-33-8.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Chemistry, like all the natural sciences, Quality Control of H-Ala-OiPr, begins with the direct observation of nature¡ª in this case, of matter.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 document, author is Carmen Costas-Lago, Maria, introduce the new discover.

Synthesis and structure-activity relationship study of novel 3-heteroarylcoumarins based on pyridazine scaffold as selective MAO-B inhibitors

Compounds of hybrid structure pyridazine-coumarin were discovered as potent, selective and reversible inhibitors of monoamine oxidase B (MAO-B). These compounds were synthesized in good yield following a multistep approach based on Knoevenagel reaction and using as key intermediate pyridazinone 16, which was obtained from maleic anhydride and furan. Compounds 9b and 9d are the most active compounds of these series, with IC50 values in the sub-micromolar range, and lack of cytotoxic effects. Theoretical calculation of ADME properties also suggested a good pharmacokinetic profile for both compounds. Docking simulations provided insights into enzyme inhibitor interactions and allowed us to rationalize the observed structure-activity relationships (SARs). (C) 2017 Elsevier Masson SAS. All rights reserved.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 39825-33-7. Quality Control of H-Ala-OiPr.

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Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem

 

Reference of 1799-84-4, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 1799-84-4, Name is 3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate, SMILES is CC(C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O)=C, belongs to pyridazines compound. In a article, author is Wang, Xiaolin, introduce new discover of the category.

Comprehension of the Effect of a Hydroxyl Group in Ancillary Ligand on Phosphorescent Property for Heteroleptic Ir(III) Complexes: A Computational Study Using Quantitative Prediction

A new Ir(III) complex (dfpypya)(2)Ir(pic-OH) (2) is theoretically designed by introduction of a simple hydroxyl group into the ancillary ligand on the basis of (dfpypya)(2)Ir(pic) (1) with the aim to get the high efficiency and stable blue-emitting phosphors, where dfpypya is 3-methyl-6-(2′,4′-difluoro-pyridinato)pyridazine, pic is picolinate, and pic OH is 3-hydroxypicolinic acid. The other configuration (dfpypya)(2)Ir(pic OH)’ (3) is also investigated to compare with 2. The difference between 2 and 3 is whether the intramolecular hydrogen bond is formed in the (dfpypya)(2)Ir(pic OH). The quantum yield is determined by three different methods including the semiquantitative and quantitative methods. To quantitatively determine the quantum yield is still not an easy task to be completed. This work would provide some useful advices to select the suitable method to reliably evaluate the quantum yield. Complex 2 has larger quantum yield and more stability as compared with 1 and 3. The formation of intramolecular hydrogen bond would become a new method to design new phosphor with the desired properties.

Reference of 1799-84-4, 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 1799-84-4.

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