Tag: M.W:0-100

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ) is researched.HPLC of Formula: 616-43-3.Colle, Renato; Curioni, Alessandro published the article 《The transferability of the dynamic correlation energy in conjugated molecules》 about this compound( cas:616-43-3 ) in Chemical Physics Letters. Keywords: correlation energy transferability conjugated mol; pyrrole methane oligomer correlation energy. Let’s learn more about this compound (cas:616-43-3).

The dynamic correlation energy of the ground state of organic conjugated mols., calculated using the Colle-Salvetti functional, has been decomposed into fragment contributions obtained by integrating the functional inside sep. fragment volumes defined as proposed by Bader. It is shown that these contributions, properly renormalized, can be utilized for predicting in a satisfactory way the total correlation energy of oligomers obtained by condensation of pyrrole and methane mols.

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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 《Pyrolysis studies. Controlled thermal degradation of mesoporphyrin》. Authors are Whitten, David G.; Bentley, Kenton E.; Kuwada, Daniel.The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Product Details of 616-43-3. Through the article, more information about this compound (cas:616-43-3) is conveyed.

The major organic products obtained from thermal decomposition of mesoporphyrin (I) at several temperatures over the range 400-780° were pyrrole, 3-methylpyrrole, dimethylpyrroles, trimethylpyrroles, opsopyrrole (II), cryptopyrrole (III), tetramethylpyrrole, hemopyrrole (IV), and phyllopyrrole (V). Small amounts of MeCN and EtCN were obtained together with moderate yields of CH4, C2H6, and C2H4. The yields of hydrocarbons and nitriles increased with the temperature Thermal decomposition products of I at lower temperatures (400-600°) were the same as those favored in reductive degradation. The pyrroles II-V, formed by cleavage at the methene bridge positions only amounted to 92% of alkylpyrroles formed at 410°. The yield of less characteristic pyrroles increased with elevation of the pyrolysis temperature Spectral examination of the residue failed to show any dipyrrylmethanes or rearranged porphyrins that might be possible intermediates in pyrrole formation. Increase of pyrolysis hot zone by use of a gold baffle caused a less characteristic pyrolysis above 550°. Above 560°, 2,4-dimethyl-3-ethylpyrrole (VI) gave considerable amounts of dimethylpyrrole and methylpyrrole. The products of sealed tube pyrolysis of I in vacuo and in H atm. (450-500 mm. at 20°) heated 1 hr. at 400° were the same as those produced by pyrolysis in dynamic systems at the same temperature Mass spectral determinations of VI and the isomer 2,3,4,5-tetramethyl-pyrrole show that the method served to distinguish between such pairs but not between isomers having the same types of alkyl substituents. The spectra of mesoporphyrin IX and ferric mesoporphyrin IX chloride di-Me ester as obtained using a direct introduction system were similar to previously reported spectra of Ni and Cu etioporphyrins. Relatively high stability of porphyrin pos. and double pos. ions gives rise to little fragmentation of the porphyrin nucleus. The high-resolution mass spectrum of I gives mol. weight and mol. formula, with a fragmentation pattern indicating high stability. Controlled pyrolysis selectivity degrades the porphyrin into pyrrole sub-units, which can be readily identified and used in determining the structure of the parent porphyrin.

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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

Buurman, P.; Roscoe, R. published the article 《Different chemical composition of free light, occluded light and extractable SOM fractions in soils of Cerrado and tilled and untilled fields, Minas Gerais, Brazil: a pyrolysis-GC/MS study》. Keywords: soil free occluded light organic matter chem composition Brazil.They researched the compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ).Computed Properties of 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.

To investigate both the effect of land-use systems on SOM characteristics and the effect of occlusion in aggregates on chem. composition of the occluded fraction, SOM fractions of soils under Cerrado, no-tillage and conventional tillage, were investigated. Free light, occluded light and extractable organic matter from native Cerrado and from tilled and unfilled fields under maize and bean rotation were separated and chem. analyzed by pyrolysis-GC/MS. Ploughing incorporated more fresh OM into the soil than natural biol. activity. Degradation of the occluded light fraction was not fully halted, but was different from that of SOM in the extractable fraction. Recalcitrant compounds had low abundances in the free light and extracted fractions, but were more abundant in the occluded light fraction, where the more accessible compounds were depleted by microbial decomposition Because of intense decomposition, the extracted fractions did not differentiate between land uses, but differences in the light fractions were significant. The results indicate that the decay of the occluded fraction is different from that of the free light fraction: non-ideal circumstances of decay caused a relative accumulation of potentially recalcitrant compounds When considering the rapid turnover of all components in the soil extracts, disruption of aggregates will probably cause rapid decay of the occluded fraction. The distribution of pyrolysis products that can be ascribed to charred wood (polyaromatics) indicates that this fraction is readily decayed if not occluded. Selective decomposition in the occluded fraction may cause a shift in δ13C that should not be misinterpreted.

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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 《Molecular orbital treatment of a new type of heteroaromatic compound》. Authors are Brown, R. D.; Coller, B. A. W..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.

I, II, III, and IV are treated; of these only II is known (Boeckelheide and Windgassen, C.A. 52, 16355i). The present results indicate that all 4 compounds would be stable once formed. Resonance energies, π-electron d., and energies of excited states are given as a function of the electronegativity of N. Definite predictions of the position of highest reactivity toward electrophiles can be made for I and II; it is position 1 in either case.

After consulting a lot of data, we found that this compound(616-43-3)Electric Literature of C5H7N can be used in many types of reactions. And in most cases, this compound has more advantages.

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 In Synthesis 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 Sensory and Instrumental Analyses of Volatiles Generated during the Extrusion Cooking of Oat Flours. Author is Parker, Jane K.; Hassell, Glynis M. E.; Mottram, Donald S.; Guy, Robin C. E..

Three batches of oats were extruded under four combinations of process temperature (150 or 180°C) and process moisture (14.5 and 18%). Two of the extrudates were evaluated by a sensory panel, and three were analyzed by GC-MS. Maillard reaction products, such as pyrazines, pyrroles, furans, and sulfur-containing compounds, were found in the most severely processed extrudates (high-temperature, low-moisture). These extrudates were also described by the assessors as having toasted cereal attributes. Lipid degradation products, such as alkanals, 2-alkenals, and 2,4-alkadienals, were found at much higher levels in the extrudates of the oat flour that had been debranned. It contained lower protein and fiber levels than the others and showed increased lipase activity. Extrudates from these samples also had significantly lower levels of Maillard reaction products that correlated, in the sensory anal., with terms such as stale oil and oatmeal. Linoleic acid was added to a fourth oat flour to simulate the result of increased lipase activity, and GC-MS anal. showed both an increase in lipid degradation products and a decrease in Maillard reaction products.

After consulting a lot of data, we found that this compound(616-43-3)Application In Synthesis of 3-Methyl-1H-pyrrole can be used in many types of reactions. And in most cases, this compound has more advantages.

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

Reference of 3-Methyl-1H-pyrrole. 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. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Structure of “”unknown”” soil nitrogen investigated by analytical pyrolysis.

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.

After consulting a lot of data, we found that this compound(616-43-3)Reference of 3-Methyl-1H-pyrrole can be used in many types of reactions. And in most cases, this compound has more advantages.

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 Electrochemical preparation and in situ characterization of poly(3-methylpyrrole) and poly(3-methylpyrrole-cyclodextrin) films on gold electrodes, the main research direction is polymethylpyrrole cyclodextrin film gold electrode.SDS of cas: 616-43-3.

A Electrosynthesis of conducting poly(3-methylpyrrole) (P3MPy) and poly(3-methylpyrrole-2,6-dimethyl-β-cyclodextrin) (poly(3MPy-β-DMCD)) films on a gold electrode in acetonitrile electrolyte solution containing lithium perchlorate has been carried out by potential cycling. Products were characterized with cyclic voltammetry CV, in situ UV-Vis spectroscopy, and in situ resistance measurements. Electrosynthesis of poly(3MPy-β-DMCD) started with a (1:1) (3MPy-β-DMCD) supramol. cyclodextrin CD complex of 3-methylpyrrole characterized with proton NMR spectroscopy. The oxidation peak of poly(3MPy-β-DMCD) in CVs is shifted to more pos. values than P3MPy. In situ resistance measurements show that the resistance of poly(3MPy-β-DMCD) is higher than of P3MPy by approx. an order of magnitude. Min. resistance can be observed for P3MPy and poly(3MPy-β-DMCD) at 0.40 < EAg/AgCl < 1.10 V and 0.60 < EAg/AgCl < 1.10 V, resp. The higher resistance of P3MPy compared with polypyrrole may result from the presence of the Me group substituent resulting in a decreased conjugation length. When CD is present during synthesis, resistance is even higher. In situ UV-Vis spectroelectrochem. data for both films prepared potentiodynamically by cycling the potential in the range - 0.20 < EAg/AgCl < 1.10 V in acetonitrile electrolyte show major effects of CD presence during electrosynthesis. After consulting a lot of data, we found that this compound(616-43-3)SDS of cas: 616-43-3 can be used in many types of reactions. And in most cases, this compound has more advantages.

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 Acid-catalyzed proton exchange on pyrrole and alkylpyrroles, the main research direction is kinetics proton exchange pyrrole.Product Details of 616-43-3.

The rates of D-H exchange in D2O-dioxane solution of pyrrole at the α- and β-positions were equal in F3CCO2D and D3O+; in DOAC the α-position was selectively protonated. Alkyl substituents activated adjacent position(s) toward H-D exchange, the influence of N-alkyl being less than that of 2-, 3-, 4-, and 5-alkyl.

After consulting a lot of data, we found that this compound(616-43-3)Product Details of 616-43-3 can be used in many types of reactions. And in most cases, this compound has more advantages.

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: 3-Methyl-1H-pyrrole. 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 The synthesis of new 3-substituted pyrroles. Author is Stefan, Klaus Peter; Schuhmann, Wolfgang; Parlar, Harun; Korte, Friedhelm.

The synthesis of 3-alkyl-, 3-(ω-bromoalkyl)-, 3-iodo-, 3-formyl-, 3-acetyl-1-(triisopropylsilyl)pyrrole, 2-[1-(triisopropylsilyl)-3-pyrrolyl]-2-propanol, 1-(triisopropylsilyl)-3-pyrrolecarboxylic acid, and 7-[1-(triisopropylsilyl)-3-pyrrolyl]heptanoic acid as well as the desilylation of these products to the corresponding 3-substituted pyrroles is described. Intermediates in these syntheses are 1-(triisopropylsilyl)pyrrole, 3-bromo-, and 3-litho-1-(triisopropylsilyl)pyrrole.

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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).Application of 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)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