Day: April 20, 2022

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: 616-43-3, is researched, Molecular C5H7N, about On the mechanism of the sensitized photooxygenation of pyrroles, the main research direction is oxygenation photo pyrrole mechanism.Application of 616-43-3.

The mechanism of dye-sensitized photooxygenation reaction of pyrrole, its N-methyl, 2-methyl, 3-methyl, and N-phenyl derivatives as well as kryptopyrrole, was studied at low temperatures via 1H-NMR spectral data and H218O in various solvents. Endo-peroxide intermediates (I) undergo rapid ground-state reactions, leading to 5-hydroxy-Δ3- pyrrolinones by two mechanisms: internal rearrangement and reaction with water.

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

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5,6-Dichloropyrazine-2,3-dicarbonitrile, is researched, Molecular C6Cl2N4, CAS is 56413-95-7, about Phenol-Substituted Tetrapyrazinoporphyrazines: pH-Dependent Fluorescence in Basic Media.Application of 56413-95-7.

Tetrapyrazinoporphyrazines (TPyzPzs) bearing one, two, four or eight 3,5-di(tert-butyl)-4-hydroxyphenol moieties were synthesized as Zn(II) complexes and metal-free derivatives The deprotonation of the phenol using Bu4NOH induced the formation of a strong donor for intramol. charge transfer that switched OFF the red fluorescence (λF∼660 nm) of the parent Zn TPyzPzs. The changes were fully reversible for TPyzPzs with one to four phenolic moieties, and an irreversible modification was observed for TPyzPzs substituted with eight phenols. The sensors were anchored to lipophilic particles in H2O, and a pKa ∼12.5-12.7 was determined for the phenolic hydroxyl based on fluorescence changes in different buffers. A novel concept for fluorescence OFF-ON-OFF switching in metal-free TPyzPzs bearing phenolic moieties upon addition of specific amounts of base was demonstrated.

Although many compounds look similar to this compound(56413-95-7)Application of 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

Recommanded Product: 56413-95-7. 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 New second-order nonlinear optical organic crystals. Author is Donald, D. S.; Cheng, L. T.; Desiraju, G.; Meredith, G. R.; Zumsteg, F. C..

The design of mol. crystals with specific optical properties, which are thought to arise from constituent mols.’ polarizability properties, is a desirable but currently unachievable goal. One can partially achieve this goal by choosing compounds with specific mol. attributes and empirically determining the manner in which these are translated into crystal properties. Besides the fact that there are no certain rules for prediction of crystal packing arrangements, where is also a problem in specifying mol. properties from what are today incomplete polarizability structure-property relationships. We have, realizing these limitations, identified polarizability structure-property relationships. We have, realizing these limitations, identified new mol. crystals by a nonlinear optical (powder-SHG) scouting-screening program from lists of compounds chosen because of desirable mol. properties. Examination of successful materials has revealed interesting, new alignment motifs. Some of these materials, a set of halogen and cyano derivatives of aromatic compounds, are described relating properties and structures of mols. and crystals. In particular, the orientation directing influence of intermol. halogen-cyano interactions and the use of heterocyclic compounds to improve transparency in the near IR and in the blue and near UV spectral regions are demonstrated.

Although many compounds look similar to this compound(56413-95-7)Recommanded Product: 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

Safety of 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 Preparation of octa(alkoxy) azaphthalocyanines. Author is Morkved, Eva H.; Ossletten, Hege; Kiosen, Helge.

5,6-Bis(alkoxy)pyrazine-2,3-dicarbonitriles with methoxy-, ethoxy-, and propoxy-substituents were allowed to react with magnesium alkoxides to form the corresponding magnesium octaalkoxyazaphthalocyanines. The methoxy compound (I) was converted into the metal-free azaphthalocyanine and to the copper complex. The propoxy-substituted magnesium azaphthalocyanine was also converted to the metal-free azaphthalocyanine. Both of the propoxy compounds were readily soluble in organic solvents. The stable intermediate Me 2,3-dimethoxy-6-cyanopyrazine-5-carboximidate (II) was obtained both from reaction of 5,6-dichloropyrazine-2,3-dicarbonitrile with sodium methoxide in methanol, and in a sodium methoxide-catalyzed reaction of 5,6-dimethoxypyrazine-2,3-dicarbonitrile (III) with ammonia in methanol. II was converted into I with magnesium methoxide, and was therefore an intermediate between III and I.

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

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Solid-Phase Synthesis of Aza-phthalocyanine-Oligonucleotide Conjugates and Their Evaluation As New Dark Quenchers of Fluorescence, published in 2010-10-31, which mentions a compound: 56413-95-7, mainly applied to DNA fluorescence hybridization fluorescence quenching solid phase, Recommanded Product: 5,6-Dichloropyrazine-2,3-dicarbonitrile.

Hydrophobic non-aggregating metal-free azaphthalocyanines (AzaPc) of the tetrapyrazinoporphyrazine type were synthesized, characterized, and used for oligonucleotide labeling. Both 3′-end and 5′-end labeling methods using solid phase synthesis suitable for automatic processes in the DNA/RNA synthesizer were developed. The hydrophobic character of AzaPc enabled the anchoring of the conjugates on reverse phase of the oligonucleotide purification cartridge, thus enabling their simple purification AzaPc did not show any fluorescence and extremely low singlet oxygen quantum yields (ΦΔ = 0.015-0.018 in DMF) in a monomeric state due to ultrafast intramol. charge transfer. That is why they were investigated as a new dark quencher structural type. They profit particularly from absorption in a wide range of wavelengths (300-740 nm) that covers all fluorophores used in hybridization assays nowadays. As an example, quenching efficiency was evaluated in a simple hybridization assay using monolabeled probes. AzaPc-based probes efficiently quenched both fluorescein and Cy5 fluorescence by both resonance energy transfer and contact quenching. The results were compared with three established dark quenchers, and the AzaPc exerted better (BHQ-1 and BHQ-2) or comparable (BBQ-650) quenching efficiencies for both fluorophores.

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

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Pyrrole Syntheses from Amino Ketones with Ketones and Ketone Esters》. Authors are Piloty, O.; Hirsch, P..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Electric Literature of C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

The following pyrrole derivatives have been prepared by treating aqueous solutions of the HCl salts of amino ketones containing an excess of alk. with a ketone or ketone ester and allowing to stand a long time at a slightly elevated temperature in closed vessels. α-β’-Dimethylpyrrole, from Ac2NH2.HCl and AcMe; yield, 30%. α-Phenyl-β’-methylpyrrole, from 10 g. AcCH2NH2.HCl and 5 g. AcPh, m. 152°; yield, 1 g. α,β,β’-Trimethylpyrrole, from AcEt; yield, 28%. α-Ethyl-β,β’-dimethylpyrrole, b10 77-8° (yield, 0.4 g. from 14 g. AcCH3NH2.HCl and 10 g. Et2CO); picrjate, bright yellow, striated prisms, m. 122.5°. α,β,α’-Trimethylpyrrole, from AcCHMeNH2 and AcMe; yield, 50%. Some tetramethylpyrazine is formed in this reaction. AcCHMeNH2 and AcEt react only slowly and incompletely; the chief product is the pyrazine, but a little α,β,α’,β’-tetramethylpyrrole picrate (cf. Fischer and Bartholomäus, C. A., 7, 780) was isolated. Et α,β’-dimethylpyrrole-β-carboxylate, from AcCH2NH2 and AcCH2CO2Et. Monoethyl β-methylpyrrole-α’,β’-dicarboxylate, from 19 g. HO2CCOCH2CO2Et and 11 g. AcCH2NH2.HCl, monoclinic prisms, m. 196° (yield, 2-3 g.), converted by 20 hrs. b. with excess of 20% KOH into β-methylpyrrole-β’ (or α’)-carboxylic acid, flocks, m. 149°, losing CO2 and forming β-methylpyrrole, b11 45°. Monoethyl α,β-dimethylpyrrole-α’,β’-dicarboxylate, from AcCHMeNH2 and HO2CCOCH2CO2Et, prisms, m. 201° (loss of CO2). α,β-Dimethylpyrrole-β’ (or α’)-carboxylic acid, m. 188°. α,β-Dimethylpyrrole, b11 62°; picrate, bright yellow, felted needles, m. 146-5°; contrary to all other pyrrole derivatives, it has the comp. C18H21O7N5, i. e., 2 mols. pyrrole: 1 mol. picric acid.

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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

Schulten, H. R.; Sorge-Lewin, C.; Schnitzer, M. published the article 《Structure of “”unknown”” soil nitrogen investigated by analytical pyrolysis》. Keywords: organic nitrogen compound detection soil pyrolysis; hydrolysis soil detection organic nitrogen pyrolysis.They researched the compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ).COA of Formula: C5H7N. 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:616-43-3) here.

Curie-point pyrolysis-gas chromatog./mass spectrometry (Py-GC/MS) and in-source pyrolysis-field ionization mass spectrometry (Py-FIMS) were applied for the 1st time to the structural characterization of organic N in hydrolyzates and hydrolysis residues resulting from the classical 6 M HCl hydrolysis of mineral soils. Two soils of widely different origin (i.e., a Gleysol Ah and a Podzol Bh) were investigated. Py-GC/MS was performed using a N-selective detector to detect and identify N-containing pyrolysis products in the hydrolyzate (e.g., pyrazole and/or imidazole, N,N-dimethylmethanamine, benzenacetonitrile, propane- and propenenitriles) and the hydrolysis residue (e.g., pyrroles, pyridines, indoles, N-derivatives of benzene, benzothiazole, and long-chain aliphatic nitriles). Temperature-resolved Py-FIMS allowed the thermal evolution of the N-containing compounds to be recorded during pyrolysis. These were characterized by a particularly high thermostability compared to their thermal release from whole soils. The combination of pyrolysis with mass spectrometric methods permitted analyses of the identities and thermal stabilities of complex N compounds in hydrolysis residues of whole soils, which cannot be done by wet-chem. methods. Pyrolysis-methylation GC/MS with NMe4OH enabled the identification of N,N-dimethylbenzenamine and so confirmed the identification of benzeneamine by Py-GC/MS in nonmethylated hydrolysis residues. N-derivatives of benzene and long-chain nitriles are characteristic of soils, terrestrial humic substances, and hydrolysis residues and seem to be specific, stable transformation products of soil N.

Although many compounds look similar to this compound(616-43-3)COA of Formula: C5H7N, 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

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).

Although many compounds look similar to this compound(56413-95-7)Name: 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

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

Although many compounds look similar to this compound(616-43-3)Quality Control of 3-Methyl-1H-pyrrole, 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