Category: 616-43-3

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.Name: 3-Methyl-1H-pyrrole.Yuzhakova, O. A.; Kurkovskaya, L. N.; Shapet’ko, N. N.; Potapov, V. K.; Shatenshtein, A. I. published the article 《Delayed exchange of hydrogen in imine groups of pyrrole and indole》 about this compound( cas:616-43-3 ) in Teoreticheskaya i Eksperimental’naya Khimiya. Keywords: imine ethanol hydrogen exchange; pyrrole ethanol hydrogen exchange; indole ethanol hydrogen exchange; ionization potential indole pyrrole. Let’s learn more about this compound (cas:616-43-3).

The rate of H-D exchange between EtOD and pyrrole (I) or indole (II) in CCl4 was measured by NMR, and the rate constants were calculated from the 1st-order rate equation. The H exchange in NH groups of unsubstituted 5 membered heterocycles in the absence of an electron-donating solvent was slow. The photoionization potentials, Ip, of I, N-methylpyrrole (III), α-methylpyrrole (IV), and β-methylpyrrole were measured. The highest and the smallest Ip change was observed on passing from I to IV, and from I to III, resp. The probable structures of I complexes and I complexes with the alc. were suggested together with the causes of slow H exchange.

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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 《The protonation of pyrroles》. Authors are Chiang, Y.; Whipple, E. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).COA of Formula: C5H7N. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Formation of stable α-protonated salts of pyrrole and methylpyrroles in aqueous H2SO4 is demonstrated by their proton magnetic resonance spectra. The observed rates of deuterium exchange in N-methylpyrrole require, however, that β-protonation of the base occur at the faster rate in concentrated H2SO4 solutions The basicity constant of pyrrole is redetermined as pKa = -3.8, considerably below the currently accepted value, and the variation of the ratio of protonated to unprotonated base with H2SO4 concentrations, while self-consistent within the methylpyrrole series, differs from previously defined class acidity functions. The basicity constants vary with Me substitution in a semi-empirically predictable manner.

Here is just a brief introduction to this compound(616-43-3)COA of Formula: C5H7N, more information about the compound(3-Methyl-1H-pyrrole) is in the article, you can click the link below.

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 compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Molecular Spectroscopy called Analysis of the NMR spectrum of 3-methylpyrrole, Author is Fukui, H.; Shimokawa, S.; Sohma, J.; Twadare, T.; Esumi, N., which mentions a compound: 616-43-3, SMILESS is CC1=CNC=C1, Molecular C5H7N, Recommanded Product: 616-43-3.

Earlier work (F., S., S., 1970) on pyrrole and on its 2-derivatives is extended to 3-methylpyrrole. Observed and simulated spectra are shown for the N-decoupled spectra at 60 MHZ, and for the N-H proton in which the 14N nucleus and Me protous were decoupled and the 5-proton was perturbed. The chem. shills and coupling constants are tabulated. The best simulated spectrum is a 7-spin system. The compound was dissolved in acetone-d, with Me4Si as internal reference

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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

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: 616-43-3, is researched, SMILESS is CC1=CNC=C1, Molecular C5H7NJournal, Journal of Analytical and Applied Pyrolysis called Selective production of pyrroles via catalytic fast pyrolysis of cellulose under ammonia atmosphere at low temperature, Author is Yao, Qian; Xu, Lujiang; Guo, Chaofang; Yuan, Ziguo; Zhang, Ying; Fu, Yao, the main research direction is cellulose pyrrole ammonia catalytic pyrolysis thermal decomposition.Synthetic Route of C5H7N.

In this study, cellulose was selectively converted into pyrroles via catalytic fast pyrolysis under ammonia atm. over the γ-Al2O3 catalyst. Both in situ and ex situ lab-scale fast pyrolysis sets were designed and used for investigation, and more pyrroles were produced via in situ CFP process. In addition, the effects of catalyst, reaction temperature and catalyst-to-cellulose ratio on the product distribution were investigated systematically. All these factors played important roles in the production of pyrroles. Under the optimized in situ CFP condition, at 400°C and catalyst-to-cellulose ratio at 2, the carbon yield of N-containing chems. from cellulose under ammonia atm. reached 9.7%. The selectivity of pyrroles in N-containing chems. was 89.5%. The possible conversion pathway from cellulose to pyrroles was also proposed, i.e., cellulose was firstly converted into anhydrosugars through thermal decomposition, then anhydrosugars underwent dehydration and rearrangement reactions to form furans. Thereafter, the furans were transformed into pyrroles by reacting with ammonia.

Here is just a brief introduction to this compound(616-43-3)Synthetic Route of C5H7N, more information about the compound(3-Methyl-1H-pyrrole) is in the article, you can click the link below.

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 Structural studies on soil nitrogen by Curie-point pyrolysis Gas chromatography/mass spectrometry with nitrogen-selective detection. Author is Schulten, H.-R.; Sorge, C.; Schnitzer, M..

Curie-point pyrolysis-gas chromatog./mass spectrometry with N-selective detection was used to characterize the structure of organic N compounds in four mineral soils. The technique was found suitable for the fast, sensitive, and highly specific identification of N-containing pyrolysis products from whole soils with total N contents between 0.08 and 0.46%. In order to optimize the methodol., one agricultural soil was pyrolyzed at final temperatures of 573, 773, and 973 K. Almost no chem. alterations to identifiable pyrolysis products were observed when the final pyrolysis temperature was increased from 573 to 973 K. More than 50 N-containing pyrolysis products were identified, and were divided into compound classes characterized by specific mol. chem. structures. These included pyrroles, imidazoles, pyrazoles, pyridines, pyrimidines, pyrazines, indoles, quinolines, N derivatives of benzene, alkyl nitriles, and aliphatic amines. Three addnl. soil samples different in origin and N content were analyzed at 773 K and each showed a specific thermosensitive N-selective chromatogram. Many N-containing pyrolysis products were identified in all samples, which indicated general qual. regularities in the thermal release of N-containing pyrolysis products from the four soils. In the pyrolyzates of the investigated soils a number of compounds were identified, which is usually not detectable in pyrolysis-gas chromatog. spectrometry analyses with N-selective detection of plants and microorganisms. Among these were N derivatives of benzene and long-chain alkyl nitriles, which appear to be soil-specific and suggest significant transformations of organic N in soils. Thus, the results contribute to a better understanding of the mol.-chem. structure of unknown N.

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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

Category: chiral-oxygen-ligands. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Photosensitized oxygenation of 3-methylpyrrole involving a dioxetane intermediate. Author is Lightner, David A.; Low, Lawrence K..

The Rose Bengal-sensitized photooxidation of 3-methylpyrrole in MeOH gave 3% 3-methyl-3-methoxy-4-pyrrolin-2-one and 6% 3-hydroxy-3-methyl-4-pyrrolin-2-one via a dioxetane intermediate, 22% 3-methyl-5-methoxy-3-pyrrolin-2-one, 7% 4-methyl-5-methoxy-3-pyrrolin-2-one, 10% 5-hydroxy-3-methyl-3-pyrrolin-2-one, and 13% citraconimide.

Here is just a brief introduction to this compound(616-43-3)Category: chiral-oxygen-ligands, more information about the compound(3-Methyl-1H-pyrrole) is in the article, you can click the link below.

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

Category: chiral-oxygen-ligands. 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 Comparison between CP/MAS 13C-NMR and pyrolysis-GC/MS in the structural characterization of humins and humic acids of soil and sediments. Author is Fabbri, D.; Mongardi, M.; Montanari, L.; Galletti, G. C.; Chiavari, G.; Scotti, R..

The chem. structure of humins (HUs) and humic acids (HAs) of terrestrial and marine environments was investigated by cross-polarization magic angle spinning 13C-NMR spectroscopy and pyrolysis-gas chromatog./mass spectrometry. Samples of HUs and HAs were obtained from sediments of the Adriatic Sea, the Lagoon of Ravenna (Adriatic Sea), and the Bubano Lake as well as from an agricultural soil. HUs showed pyrograms and NMR spectra different from those of related HAs. According to NMR spectra HUs were more aliphatic and contained fewer carboxyl groups than HAs, while pyrolyzates of HUs were characterized by higher levels of products arising from carbohydrates and lower levels of lignin methoxyphenols with respect to HAs. The relative content of paraffinic carbons determined by NMR was in good agreement with the relative abundance of unbranched aliphatic hydrocarbons released by pyrolysis. Both techniques evidenced the importance of polymethylene structures in HUs.

Here is just a brief introduction to this compound(616-43-3)Category: chiral-oxygen-ligands, more information about the compound(3-Methyl-1H-pyrrole) is in the article, you can click the link below.

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 《Synthesis of furan amines and their catalytic conversion into five-membered nitrogenous heterocycles》. Authors are Shuikin, N. I.; Petrov, A. D.; Glukhovtsev, V. G.; Bel’skii, I. F.; Skobtsova, G. E..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.

CH2:CHCHO added to sylvan in AcOH in the presence of hydroquinone at 40° gave after 2 hrs. 65% 2-methyl-5-(3-oxopropyl)furan, b4 58°, n20D 1.4762, d20 1.0360; with 50% H2SO4 as a catalyst, the yield was 43%. The latter catalyst with crotonaldehyde similarly gave 53% 2-methyl-5-(1-methyl-3-oxopropyl)furan, b3 67°, 1.4730, 1.0093, while mesityl oxide gave 75% 2-methyl-5-(1,1-dimethyl-3-oxobutyl)furan, b2 61°, 1.4700, 0.9747. These carbonyl derivatives were hydrogenated in MeOH saturated with NH3 over Raney Ni at 100-50 atm. and 80° and gave: 2-methyl-5-(3-aminopropyl)-furan, b6 82°, 1.4840, 0.9758; 2-methyl-5-(1-methyl-3-amino-propyl)furan, b7 85°, 1.4800, 0.9591; 2-methyl-5-(1,1-dimethyl-3-aminobutyl)furan, b4 75°, 1.4741, 0.9365. The latter was hydrogenated at 250° over 15% Pt-asbestos to 2,4,4-trimethyl-5-butylpyrrolidine, b5 39°, 1.4444, 0.8319. Raman spectra of the products were reported.

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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).Related Products 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

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 14N nuclear quadrupole coupling and methyl internal rotation in 3-methylpyrrole investigated by microwave spectroscopy, the main research direction is methylpyrrole nuclear quadrupole coupling.Recommanded Product: 616-43-3.

The mol. structure of 3-methylpyrrole in the gas phase has been determined using a combination of high-resolution spectroscopy and quantum chem. calculations The rotational spectrum was recorded using a mol. jet Fourier transform microwave spectrometer covering the frequency range from 2.0 to 26.5 GHz. The exptl. data were analyzed using the programs XIAM and BELGI-Cs-hyperfine. Because the internal rotor axis accidentally lies along the principal a-axis of inertia, the rho axis system and the principal axis system coincide, enabling a direct comparison of the fits. With the program XIAM, the rotational constants A = 8631.1629(12), B = 3342.19750(43), and C = 2445.73846(42) MHz were obtained. Torsional splittings due to internal rotation of the Me group were observed, leading to the determination of the V3 potential of 245.92445(31) cm-1. Hyperfine splittings arising from the nuclear quadrupole coupling of the 14N nucleus could be resolved, and the quadrupole coupling constants χaa = 1.4159(49) and χbb – χcc = 4.1622(86) MHz were found.

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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