Tag: M.W:0-100

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.

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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

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

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.

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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

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.

Although many compounds look similar to this compound(616-43-3)Electric Literature of 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

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.

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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

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: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Modulation of coffee aroma via the fermentation of green coffee beans with Rhizopus oligosporus: II. Effects of different roast levels.Recommanded Product: 616-43-3.

This study aims to evaluate how changes of the volatile and non-volatile profiles of green coffees induced by Rhizopus oligosporus fermentation of green coffee beans (Part I) translated to changes in the volatile and aroma profiles of light, medium and dark roasted coffees and non-volatile profile of roasted coffee where fermentation effects were most distinctive (light roast). R. oligosporus fermentation resulted in 1.7-, 1.5- and 1.3-fold increases in pyrazine, 2-methylpyrazine and 2-ethylpyrazine levels in coffees of all roast degrees, resp. This corresponded with the greater extent of amino acids degradation in light roasted fermented coffee. Et palmitate was detected exclusively in medium and dark roasted fermented coffees. The sweet attribute of light and dark roasted coffees were increased following fermentation along with other aroma profile changes that were roast degree specific. This work aims to develop a direct but novel methodol. for coffee aroma modulation through green coffee beans fermentation

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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

Electric Literature of C5H7N. 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: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Model reactions on roast aroma formation. III. Mass spectrometric identification of pyrroles from the reaction of serine and threonine with sucrose under the conditions of coffee roasting. Author is Baltes, Werner; Bochmann, Gloria.

Numerous alkyl- and acylpyrroles, two 2,3-dihydro[1H]pyrrolizines, furfurylpyrroles, and 1 furanylpyrrole were identified in the volatiles of roasting serine, threonine, and sucrose. The formation of the alkylpyrroles was suggested to proceed via a pyrolytic pathway because they were formed in the absence of sucrose. The retention indexes and mass spectra are reported together with selected mass spectrometric fragmentations. A large number of the identified compounds were also recognized in roast coffee volatiles.

Although many compounds look similar to this compound(616-43-3)Electric Literature of 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

HPLC of Formula: 616-43-3. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Optimised coagulation using aluminium sulfate for the removal of dissolved organic carbon. Author is Chow, Christopher W. K.; van Leeuwen, John A.; Fabris, Rolando; Drikas, Mary.

Coagulation experiments at pH values ranging from 3 to 7 were conducted on raw water samples from four Australian reservoirs-Hope Valley, Myponga, Moorabool and Mt Zero-to assess the removal of natural organic matter (NOM) with alum. The aim was to characterize the NOM in these water sources that is highly recalcitrant to removal by alum coagulation. The selection of these water sources covered a range in raw water quality varying in inorganic and organic composition and character. NOM in both raw and treated waters was characterized by several techniques including specific UV absorbance (SUVA), high performance size exclusion chromatog. (HPSEC) and pyrolysis-gas chromatog. mass spectrometry (Py-GC-MS). The results can provide better understanding of the removal limitations of each treatment step and the knowledge will allow design engineers to select a suitable combined treatment process for optimum NOM removal. Despite the fact that the organic character of the four source waters were different, results showed that after optimized alum coagulation all four waters had a similar character. The mol. weight distribution anal. (HPSEC) indicated alum coagulation preferentially removed the higher mol. weight UV absorbing compounds while those remaining in the treated waters had the properties of lower apparent mol. weights (about 500-700 Daltons) and less UV absorbance. Py-GC-MS analyses of NOM in these waters before and after treatment indicated that polysaccharides and their derivatives are recalcitrant to removal with alum coagulation. Generally, the findings indicate that the character of the NOM is an important factor in determining its treatability.

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