Category: 616-43-3

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Prediction of preferred protonation sites in pyrrole and its methyl derivatives using molecular electrostatic potentials derived from the PM3 and AM1 methods, published in 1993-12-13, which mentions a compound: 616-43-3, Name is 3-Methyl-1H-pyrrole, Molecular C5H7N, HPLC of Formula: 616-43-3.

The PM3 and AM1 MO programs have been employed for the investigation of the preferred protonation sites in pyrrole and its N-Me, 2,5-di-Me, 3-Me, 2-Me and 1,2-di-Me derivatives The following are reported: the LCAO coefficients of the HOMO (2pz) (the HOMO coefficients); the at. centered charges, which are calculated by the subroutine “”ESP”” (ESP charges); the at. net charges, which are obtained by a Mulliken population anal. (Mulliken net at. charges). The predictions of the preferred protonation sites made by the HOMO coefficients and ESP charges are in perfect agreement with exptl. data, whereas those made by the HOMO coefficients and Mulliken net at. charges are not in agreement. It is hence obvious that the protonation of pyrrole and its Me derivatives is controlled by not only HOMO-LUMO interaction but also by electrostatic forces, which are estimated by ESP charges. In other words, the subroutine “”ESP”” is useful for estimation of a kind of electrostatic reaction of pyrrole and its Me derivatives, which suggests that the subroutine may be effective for the investigation of the electrostatic reactions of other compounds

The article 《Prediction of preferred protonation sites in pyrrole and its methyl derivatives using molecular electrostatic potentials derived from the PM3 and AM1 methods》 also mentions many details about this compound(616-43-3)HPLC of Formula: 616-43-3, you can pay attention to it, because details determine success or failure

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

Synthetic Route of C5H7N. 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 Fractionation and identification of organic nitrogen species from bio-oil produced by fast pyrolysis of sewage sludge. Author is Cao, Jing-Pei; Zhao, Xiao-Yan; Morishita, Kayoko; Wei, Xian-Yong; Takarada, Takayuki.

Pyrolysis of sewage sludge was performed at 500° and a sweeping gas flow rate of 300 cm3/min in a drop tube furnace. Liquid fraction (i.e., bio-oil) from the sewage sludge pyrolysis was separated by silica-gel column chromatog. (SGCC) with different solvents, including mixed solvents, as eluants. Alkanenitriles (C13-C18), oleamide, alkenenitrile, fatty acid amides and aromatic nitrogen species were fractionated from the bio-oil by SGCC and analyzed with a gas chromatog./mass spectrometry (GC/MS). Most of the GC/MS-detectable organic nitrogen species (ONSs) are lactams, amides and N-heterocyclic compounds, among which acetamide is the most abundant. N-heterocyclics with 1-3 rings, including pyrrole, pyridine, indole, benzoimidazole, carbazole, norharman and harman, were observed The lactams detected include pyrrolidin-2-one, succinimide, phthalimide, glutarimide, piperidin-2-one and 3-isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione, all of which should be formed via decarboxylation and cyclization of γ- and δ-amino acids. Such a procedure provides an effective approach to fractionation and identification of ONSs from bio-oil produced by fast pyrolysis of sewage sludge.

The article 《Fractionation and identification of organic nitrogen species from bio-oil produced by fast pyrolysis of sewage sludge》 also mentions many details about this compound(616-43-3)Synthetic Route of C5H7N, you can pay attention to it or contacet with the author([email protected]) to get more information.

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

Fabbri, D.; Mongardi, M.; Montanari, L.; Galletti, G. C.; Chiavari, G.; Scotti, R. published the article 《Comparison between CP/MAS 13C-NMR and pyrolysis-GC/MS in the structural characterization of humins and humic acids of soil and sediments》. Keywords: humin mol structure aquatic sediment MNR; humic acid structure soil pyrolysis GCMS.They researched the compound: 3-Methyl-1H-pyrrole( cas:616-43-3 ).Recommanded Product: 616-43-3. 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.

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.

Different reactions of this compound(3-Methyl-1H-pyrrole)Recommanded Product: 616-43-3 require different conditions, so the reaction conditions are very important.

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 《Thermal reactions of organic nitrogen compounds. III. 1-Isopropylpyrrole》. Authors are Jacobson, I. A. Jr.; Jensen, H. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Recommanded Product: 3-Methyl-1H-pyrrole. Through the article, more information about this compound (cas:616-43-3) is conveyed.

cf. CA 57, 9781i. 1-Isopropylpyrrole isomerized irreversibly to 2-isopropylpyrrole, which in turn isomerized reversibly to 3-isopropylpyrrole. The temperature range was 340-575°. The entropies and heats of activation were calculated for the isomerization reactions 1-alkylpyrrole → 2-alkylpyrrole ⇄ 3-alkylpyrrole at 500° for methyl-, butyl-, and isopropylpyrrole.

The article 《Thermal reactions of organic nitrogen compounds. III. 1-Isopropylpyrrole》 also mentions many details about this compound(616-43-3)Recommanded Product: 3-Methyl-1H-pyrrole, you can pay attention to it, because details determine success or failure

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 《Polarographic reducibility of pyrrole and pyrrole substitutes》. Authors are Bonino, G. B..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).Category: chiral-oxygen-ligands. Through the article, more information about this compound (cas:616-43-3) is conveyed.

cf. C.A. 38, 1230.6. 1-Methylpyrrole, 2-methylpyrrole, 1-allylpyrrole, 2,4-dimethylpyrrole, 2,5-dimethylpyrrole, 3-methylpyrrole, 4-ethylpyrrole, 2,3,5-trimethylpyrrole, 2,5-dimethylpyrrole, 3-ethylpyrrole, 2,4-dimethylpyrrole, and pure 2,3,4,5-tetramethylpyrrole (I) (the latter obtained by the action of K methylate on trimethylpyrrole) in 0.1 N LiCl solution in 80% EtOH were not reduced polarographically. I obtained by the Piloty and Hirsch method (cf. C.A. 7, 1365), containing tetramethylpyrazine (II) as an impurity, showed the same polarographic wave of reduction as II. The findings of Dezelic (Boll. intern. acad. croata sci. e belle arti, 1941) are not correct.

Different reactions of this compound(3-Methyl-1H-pyrrole)Category: chiral-oxygen-ligands require different conditions, so the reaction conditions are very important.

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 three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 3-Methyl-1H-pyrrole(SMILESS: CC1=CNC=C1,cas:616-43-3) is researched.Computed Properties of C6Cl2N4. The article 《Direct Synthesis of Bipyrroles Using Phenyliodine Bis(trifluoroacetate) with Bromotrimethylsilane》 in relation to this compound, is published in Organic Letters. Let’s take a look at the latest research on this compound (cas:616-43-3).

Bipyrroles and a biindole are prepared regioselectively by oxidative dimerization of pyrroles or indoles with phenyliodine bis(trifluoroacetate) (PIFA) in the presence of bromotrimethylsilane. 3,4-Disubstituted pyrroles and 4,5,6,7-tetrahydroisoindole undergo dimerization to give 2,2′-bipyrroles (or 4,4′,5,5′,6,6′,7,7′-octahydro-1,1′-biisoindole) in 60-78% yields (with respect to PIFA). 3-Substituted-1H-pyrroles undergo regioselective oxidative dimerization with PIFA and bromotrimethylsilane to give 3,4′-disubstituted-2,2′-bipyrroles as the major products in 52-82% yields along with varying amounts of the 3,3′-disubstituted-2,2′-bipyrroles. 3-Methylindole undergoes oxidative dimerization to give 3,3′-dimethyl-2,2′-biindole in 74% yield in addition to 29% of 2-(3-methyl-1-indolyl)-3-methylindoline. While pyrrole undergoes oxidative dimerization with PIFA and bromotrimethylsilane to give only 2,2′-bipyrrole in 78% yield, 1-phenylpyrrole reacts under similar conditions to give 1,1′-diphenyl-2,3′-bipyrrole in 56% yield.

The article 《Direct Synthesis of Bipyrroles Using Phenyliodine Bis(trifluoroacetate) with Bromotrimethylsilane》 also mentions many details about this compound(616-43-3)Electric Literature of C5H7N, you can pay attention to it, because details determine success or failure

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, Gazzetta Chimica Italiana called Oxidation of mono- and dimethylpyrroles, Author is Gardini, Gian P.; Bocchi, Vittorio, the main research direction is pyrrole methyl oxidation hydrogen peroxide; methylpyrrole oxidation hydrogen peroxide.Recommanded Product: 3-Methyl-1H-pyrrole.

Reaction of 30% H2O2 with N-methylpyrrole gave 27% N-methyl-2-oxo-2,5-dihydropyrrole (I) R = Me, R1 = H). 2-methylpyrrole gave with 1 mole H2O2 42% hydroperoxide (II, R = H) and with 2 moles H2O2 22% peroxide (III, R = H); 3-methylpyrrole gave 53% I (R = H, R1 = Me); 2,3 dimethylpyrrolc gave IV, and 2,4-dimethylpyrrole gave with 1 mole H2O2 53% II (R = Me) and with 2 moles H2O2, III (R = Me), V, and VI.

The article 《Oxidation of mono- and dimethylpyrroles》 also mentions many details about this compound(616-43-3)Recommanded Product: 3-Methyl-1H-pyrrole, you can pay attention to it, because details determine success or failure

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 reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 3-Methyl-1H-pyrrole, is researched, Molecular C5H7N, CAS is 616-43-3, about Identification and Sensory Characterization of Volatile Flavor Compounds in Sesame Seed Oil. Author is Shimoda, Mitsuya; Shiratsuchi, Hideki; Nakada, Yuji; Wu, Yin; Osajima, Yutaka.

Volatile flavor compounds in sesame seed oil were investigated. Com. processed sesame seed oil was steam distilled under reduced pressure, and volatiles from the distillate were separated by an adsorptive column method. Among 171 individual peaks detected, 134 peaks were definitely or tentatively identified by anal. of mass spectra and modified Kovats indexes. To elucidate the compounds directly contributing to the characteristic flavor, the odor concentrate was fractionated by silica gel thin-layer chromatog. and preparative gas chromatog. As a result, 1-(5-methyl-2-furanyl)-1-propanone, 3-formylthiophene, 2-propyl-4-methylthiazole, 2-ethyl-4-methyl-1H-pyrrole, 2-ethyl-6-methylpyrazine, 2-ethyl-5-methylpyrazine, 4,5-dimethylisothiazole, 4,5-dimethylthiazole, 2,6-diethylpyrazine, 2-ethyl-2,5-dimethylpyrazine, 1-(2-pyridinyl)ethanone, and 1-(1-methyl-1H-pyrrol-2-yl)ethanone were considered to be principal contributors of sesame seed oil flavor.

The article 《Identification and Sensory Characterization of Volatile Flavor Compounds in Sesame Seed Oil》 also mentions many details about this compound(616-43-3)Quality Control of 3-Methyl-1H-pyrrole, you can pay attention to it, because details determine success or failure

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

Gonzalez-Tejera, M. J.; Garcia, M. V.; Sanchez de la Blanca, E.; Redondo, M. I.; Raso, M. A.; Carrillo, I. published an article about the compound: 3-Methyl-1H-pyrrole( cas:616-43-3,SMILESS:CC1=CNC=C1 ).Product Details of 616-43-3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:616-43-3) through the article.

Electrochem. copolymerization of 3-methylpyrrole and N-methylpyrrole perchlorate doped was carried out at 2 overpotentials and at different electrodeposition times in MeCN medium. A mixture of instantaneous and progressive nucleation mechanisms was established from the c.d.-time transients. Doping/dedoping reversibility is deduced from the electrochem. study of copolymer films by cyclic voltammetry. FTIR spectrum anal. shows that electropolymerization time has a great influence on the random monomers proportion in the copolymer obtained. Although the copolymer conductivity is in the range of that measured for poly(3-methylpyrrole) and poly(N-methylpyrrole) obtained in similar conditions, it remains conductive for a much longer time than the homopolymers.

The article 《Electrochemical synthesis of N-methyl and 3-methyl pyrrole perchlorate doped copolymer films》 also mentions many details about this compound(616-43-3)Product Details of 616-43-3, you can pay attention to it, because details determine success or failure

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, ACS Sustainable Chemistry & Engineering called 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, the main research direction is cellulose biomass thermocatalytic conversion ammonization heterocycle production.Category: chiral-oxygen-ligands.

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.

The article 《Renewable N-Heterocycles Production by Thermocatalytic Conversion and Ammonization of Biomass over ZSM-5》 also mentions many details about this compound(616-43-3)Category: chiral-oxygen-ligands, you can pay attention to it, because details determine success or failure

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