Month: April 2022

Name: 5,6-Dichloropyrazine-2,3-dicarbonitrile. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Synthesis of new azaphthalocyanine dark quencher and evaluation of its quenching efficiency with different fluorophores. Author is Kopecky, Kamil; Novakova, Veronika; Miletin, Miroslav; Kucera, Radim; Zimcik, Petr.

A new unsym. zinc azaphthalocyanine (AzaPc) was synthesized using statistical condensation of two precursors. Postsynthetic modifications led to incorporation of the azide group that efficiently underwent Cu(I)-catalyzed azide/alkyne 1,3-dipolar cycloaddition with terminal alkyne on a solid phase. The modified solid phase was then used for synthesis of oligodeoxyribonucleotides labeled with AzaPc. DNA hybridization assays confirmed high quenching efficiency (QE>96%) of zinc AzaPc quencher with six different fluorophores ranging in emission maxima from 517 nm to 701 nm (FAM, HEX, Cy3, Cy3.5, Cy5, and Cy5.5).

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Application of 616-43-3. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Renewable N-Heterocycles Production by Thermocatalytic Conversion and Ammonization of Biomass over ZSM-5. Author is Xu, Lujiang; Yao, Qian; Deng, Jin; Han, Zheng; Zhang, Ying; Fu, Yao; Huber, George W.; Guo, Qingxiang.

Chem. conversion of biomass to value-added products provides a sustainable alternative to the current chem. industry that is predominantly dependent on fossil fuels. N-Heterocycles, including pyrroles, pyridines, and indoles, etc., are the most abundant and important classes of heterocycles in nature and widely applied as pharmaceuticals, agrochems., dyes, and other functional materials. However, all starting materials for the synthesis of N-heterocycles currently are derived from crude oil through complex multi-step-processes and sometimes result in environmental problems. In this study, we show that N-heterocycles can be directly produced from biomass (including cellulose, lignocelluloses, sugars, starch, and chitosan) over com. zeolites via a thermocatalytic conversion and ammonization process (TCC-A). All desired reactions occur in one single-step reactor within seconds. The production of pyrroles, pyridines, or indoles can be simply tuned by changing the reaction conditions. Meanwhile, N-containing biochar can be obtained as a valuable coproduct. We also outline the chem. for the conversion of biomass into heterocycle mols. by the addition of ammonia into pyrolysis reactors demonstrating how industrial chems. could be produced from renewable biomass resources. Only minimal biomass pretreatment is required for the TCC-A approach.

Although many compounds look similar to this compound(616-43-3)Application of 616-43-3, numerous studies have shown that this compound(SMILES:CC1=CNC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Quality Control of 3-Methyl-1H-pyrrole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Decoys for Docking. Author is Graves, Alan P.; Brenk, Ruth; Shoichet, Brian K..

Mol. docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting nonbinding mols. over true ligands. These false-pos. hits may be considered “”decoys””. Although these decoys are frustrating, they potentially provide important tests for a docking algorithm; the more subtle the decoy, the more rigorous the test. Indeed, decoy databases have been used to improve protein structure prediction algorithms and protein-protein docking algorithms. Here, we describe 20 geometric decoys in five enzymes and 166 “”hit list”” decoys-i.e., mols. predicted to bind by our docking program that were tested and found not to do so – for β-lactamase and two cavity sites in lysozyme. Especially in the cavity sites, which are very simple, these decoys highlight particular weaknesses in our scoring function. We also consider the performance of five other widely used docking scoring functions against our geometric and hit list decoys. Intriguingly, whereas many of these other scoring functions performed better on the geometric decoys, they typically performed worse on the hit list decoys, often highly ranking mols. that seemed to poorly complement the model sites. Several of these “”hits”” from the other scoring functions were tested exptl. and found, in fact, to be decoys. Collectively, these decoys provide a tool for the development and improvement of mol. docking scoring functions. Such improvements may, in turn, be rapidly tested exptl. against these and related exptl. systems, which are well-behaved in assays and for structure determination

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Intermediate pyrolysis and product identification by TGA and Py-GC/MS of green microalgae and their extracted protein and lipid components, the main research direction is TGA PyGC MS green microalgae extracted protein lipid component; intermediate pyrolysis product identification TGA.Computed Properties of C5H7N.

The thermo-chem. conversion of green microalgae Chlamydomonas reinhardtii wild type (CCAP 11/32C), its cell wall deficient mutant C. reinhardtii CW15+ (CCAP 11/32CW15+) and Chlorella vulgaris (CCAP 211/11B) as well as their proteins and lipids was studied under conditions of intermediate pyrolysis. The microalgae were characterized for ultimate and gross chem. composition, lipid composition and extracted products were analyzed by Thermogravimetric anal. (TG/DTG) and Pyrolysis-gaschromatog./mass-spectrometry (Py-GC/MS). Proteins accounted for almost 50% and lipids 16-22 % of dry weight of cells with little difference in the lipid compositions between the C. reinhardtii wild type and the cell wall mutant. During TGA anal., each biomass exhibited three stages of decomposition, namely dehydration, devolatilization and decomposition of carbonaceous solids. Py-GC/MS anal. revealed significant protein derived compounds from all algae including toluene, phenol, 4-methylphenol, 1H-indole, 1H-indole-3methyl. Lipid pyrolysis products derived from C. reinhardtii wild type and C. reinhardtii CW15+ were almost identical and reflected the close similarity of the fatty acid profiles of both strains. Major products identified were phytol and phytol derivatives formed from the terpenoid chain of chlorophyll, benzoic acid alkyl ester derivative, benzenedicarboxylic acid alkyl ester derivative and squalene. In addition, octadecanoic acid octyl ester, hexadecanoic acid Me ester and hydrocarbons including heptadecane, 1-nonadecene and heneicosane were detected from C. vulgaris pyrolyzed lipids. These results contrast sharply with the types of pyrolytic products obtained from terrestrial lignocellulosic feedstocks and reveal that intermediate pyrolysis of algal biomass generates a range of useful products with wide ranging applications including bio fuels.

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Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Shifts in wave number of electronic transitions due to substitution-for furan, pyrrole, and thiophene》. Authors are Santhamma, V..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Recommanded Product: 616-43-3. Through the article, more information about this compound (cas:616-43-3) is conveyed.

The transitions, Φ3 → Φ4 and Φ3 → Φ5, were calculated for Me and F substitution on furan, pyrrole, and thiophene. The method used to calculate the shifts is outlined. An effective comparison of the calculated shifts with observed values is not possible due to paucity of exptl. data.

Although many compounds look similar to this compound(616-43-3)Recommanded Product: 616-43-3, numerous studies have shown that this compound(SMILES:CC1=CNC=C1), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 56413-95-7, is researched, SMILESS is N#CC1=NC(Cl)=C(Cl)N=C1C#N, Molecular C6Cl2N4Journal, Article, Research Support, Non-U.S. Gov’t, Chemistry – A European Journal called Azaphthalocyanines: Red Fluorescent Probes for Cations, Author is Novakova, Veronika; Lochman, Lukas; Zajicova, Ivana; Kopecky, Kamil; Miletin, Miroslav; Lang, Kamil; Kirakci, Kaplan; Zimcik, Petr, the main research direction is azaphthalocyanine red fluorescent indicator cation.Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile.

Chelation of sodium and potassium cations by aza[15]crown-5 switches on strong red fluorescence in azaphthalocyanines. This is due to an inhibition of ultrafast intramol. charge transfer by coordination of the cations to the donor center. Sodium cations fit well into a cavity of the recognition moiety, while potassium forms supramol. assemblies of azaphthalocyanines with 1:2 stoichiometry.

Although many compounds look similar to this compound(56413-95-7)Safety of 5,6-Dichloropyrazine-2,3-dicarbonitrile, numerous studies have shown that this compound(SMILES:N#CC1=NC(Cl)=C(Cl)N=C1C#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 56413-95-7, is researched, Molecular C6Cl2N4, about Synthesis, spectral and electrochemical study of perchlorinated tetrapyrazinoporphyrazine and its AlIII, GaIII and InIII complexes, the main research direction is preparation aluminum gallium indium perchlorinated tetrapyrazinoporphyrazine complex; cyclic voltammetry aluminum gallium indium perchlorinated tetrapyrazinoporphyrazine complex.Recommanded Product: 5,6-Dichloropyrazine-2,3-dicarbonitrile.

Complexes of octachloro substituted tetrapyrazinoporphyrazine with AlIII, GaIII and InIII (2a-c, (I: 2, 4, and 5)) were synthesized by direct melting of 5,6-dichloro-2,3-dicarbonitrile (1) with corresponding metal salt (AlIII chloride, GaIII and InIII hydroxydiacetates). Metal free macrocycle (II: 3) was prepared by catalytic demetalation of the InIII complex 2c (5) in the presence of chloride ions. Introduction of eight chlorine atoms to the peripheral positions of the TPyzPA macrocycle leads to a bathochromic shift of the Q band by 10-15 nm indicating narrowing of the HOMO-LUMO gap by 210-260 cm-1. The presence of eight electroneg. chlorine atoms facilitates the reduction of the TPyzPA macrocycle leading to the considerable pos. shift of the 1st reduction potentials for the metal complexes 2a-c (2, 4, and 5)(E1/2 approx. -0.16 V vs. Ag/AgCl in DMSO) and for the metal free macrocycle 3 (E1/2 = -0.04 V vs. Ag/AgCl in DMSO).

Although many compounds look similar to this compound(56413-95-7)Recommanded Product: 5,6-Dichloropyrazine-2,3-dicarbonitrile, numerous studies have shown that this compound(SMILES:N#CC1=NC(Cl)=C(Cl)N=C1C#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Nakamura, Akira; Ataka, Toshiei; Segawa, Hirozo; Takeuchi, Yasutomo; Takematsu, Tetsuo researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Synthetic Route of C6Cl2N4.They published the article 《Studies on herbicidal 2,3-dicyanopyrazines. Part II. Structure-activity relationships of herbicidal 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines》 about this compound( cas:56413-95-7 ) in Agricultural and Biological Chemistry. Keywords: herbicide cyanopyrazine structure activity. We’ll tell you more about this compound (cas:56413-95-7).

Sixty-eight 6-substituted 5-ethylamino- and 5-propylamino-2,3-dicyanopyrazines were synthesized and their herbicidal activities against barnyard grass (Echinochloa crus-galii) were measured in pot tests. The most active compound was 2,3-dicyano-5-propylamino-6-(m-chlorophenyl)pyrazine  [72113-45-2]. The activities of the 2 series of compounds were analyzed quant. using the hydrophobic and steric parameters of substituents at the 6-position of the pyrazine ring and an indicator variable.

Although many compounds look similar to this compound(56413-95-7)Synthetic Route of C6Cl2N4, numerous studies have shown that this compound(SMILES:N#CC1=NC(Cl)=C(Cl)N=C1C#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Suzuki, Toshinobu; Nagae, Yasushi; Mitsuhashi, Keiryo published the article 《Synthesis of pyrido[1′,2′:1,2]imidazo[4,5-b]pyrazines from 2,3-dichloro-5,6-dicyanopyrazine with 2-aminopyridines》. Keywords: chlorodicyanopyrazine cyclocondensation aminopyridine; pyridoimidazopyrazine.They researched the compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile( cas:56413-95-7 ).Recommanded Product: 5,6-Dichloropyrazine-2,3-dicarbonitrile. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:56413-95-7) here.

Novel synthesis of the title compounds I (R = H, 6-, 7-, 8-, 9-Me, 8-Cl, 8-Br, 6-PhCH2O) by the facile cyclization between 2,3-dichloro-5,6-dicyanopyrazine and various 2-aminopyridines II under relatively mild conditions is described. The reactivity depended on the basicity of 2-aminopyridines.

Although many compounds look similar to this compound(56413-95-7)Recommanded Product: 5,6-Dichloropyrazine-2,3-dicarbonitrile, numerous studies have shown that this compound(SMILES:N#CC1=NC(Cl)=C(Cl)N=C1C#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

HPLC of Formula: 56413-95-7. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Tetra[6,7]quinoxalinoporphyrazines: the effect of an additional benzene ring on photophysical and photochemical properties. Author is Novakova, Veronika; Zimcik, Petr; Miletin, Miroslav; Kopecky, Kamil; Musil, Zbynek.

Tetrapyrazinophthalocyanines (or tetra[6,7]quinoxalinoporphyrazines, 6,7-TQP) and tetrapyrazinoporphyrazines (TPP), bearing carboxy, alkyl, amino, alkylthio and phenolato substituents were prepared as their zinc complexes by macrocyclization of the corresponding 2,3-disubstituted 6,7-quinoxalinodinitriles and 5,6-disubstituted 2,3-pyrazinedinitriles, resp. Synthetic methods for preparation of the precursor dinitriles were developed. Photophys. and photochem. properties of 6,7-TQP were compared with tetrapyrazinoporphyrazines (TPP) bearing the same peripheral substituents to disclose the effect of insertion of a benzene ring between the pyrazine and porphyrazine moieties. The influence of the peripheral heteroatom in the group of 6,7-TQP is also discussed. Prepared 6,7-TQP have their main absorption band (Q-band) strongly batho- and hyperchromically shifted (λmax = 730-770 nm in pyridine, ε up to 500000 dm3 mol-1cm-1) in comparison to TPP. They showed high singlet oxygen quantum yields (ΦΔ = 0.50-0.74) and relatively low fluorescence quantum yields (ΦF < 0.08). Although many compounds look similar to this compound(56413-95-7)HPLC of Formula: 56413-95-7, numerous studies have shown that this compound(SMILES:N#CC1=NC(Cl)=C(Cl)N=C1C#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

Reference:
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate