Category: 616-43-3

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 TD-GC-MS investigation of the VOCs released from blood plasma of dogs with cancer.Quality Control of 3-Methyl-1H-pyrrole.

An anal. TD-GC-MS method was developed and used for the assessment of volatile organic compounds (VOCs) released from the blood plasma of dogs with/without cancer. VOCs released from 40 samples of diseased blood and 10 control samples were compared in order to examine the difference between both sample groups that were showing qual. similar results independent from the disease’s presence. However, mild disturbances in the spectra of dogs with cancer in comparison with the control group were observed, and six peaks (tentatively identified by comparison with mass spectral library as hexanal, octanal, toluene, 2-butanone, 1-octen-3-ol and pyrrole) revealed statistically significant differences between both sample groups, thereby suggesting that these compounds are potential biomarkers that can be used for cancer diagnosis based on the blood plasma TD-GC-MS anal. Statistical comparison with the application of principal component anal. (PCA) provided accurate discrimination between the cancer and control groups, thus demonstrating stronger biochem. perturbations in blood plasma when cancer is present.

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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 《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).Computed Properties 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

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).Synthetic Route of C5H7N. 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

Hodges, L. Mark; Gonzalez, Javier; Koontz, Jason I.; Myers, William H.; Harman, W. Dean published the article 《β-Electrophilic Additions of Pentaammineosmium(II) η2-Pyrrole Complexes》. Keywords: pyrrole osmium electrophilic addition; alkylation pyrrole osmium complex electrophile; acylation pyrrole osmium complex electrophile; cycloaddition dipolar pyrrole osmium complex; Michael addition dipolar pyrrole osmium complex; ring cleavage azanorbornene osmium complex.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 reactivity of pyrrole complexes [Os(NH3)5(4,5-η2-L)]2+(OTf)2 (L = pyrrole and alkylated pyrroles, e.g., I, R = H, Me) is surveyed with various electrophiles. The pyrrole ligand undergoes alkylation or acylation with a wide variety of electrophiles (e.g., acids, alkyl triflates, anhydrides, aldehydes, ketones, and Michael acceptors) predominately at the β-position. Depending on reaction conditions, the resulting products are either β-substituted 1H-pyrrole or 3H-pyrrolium complexes, the latter of which resist rearomatization due to the electron-donating properties of the metal. In all cases observed, the initial addition of the electrophile occurs on the ring face anti to Os coordination. The Os(II)-4,5-η2-pyrrole complexes are each in dynamic equilibrium with a minor isomer where the metal binds across C(3) and C(4). In this form, the uncoordinated portion of the pyrrole ring resembles an azomethine ylide, which can undergo a 1,3-dipolar cycloaddition reaction with certain electrophiles. The resulting 7-azanorbornene complexes may be ring-opened with Lewis acids to generate α-substituted 2H-pyrrolium complexes. As with the 3H-pyrrolium species, the 2H-pyrrolium complexes are stabilized by metal coordination and thereby resist rearomatization. The selectivity between Michael addition and dipolar cycloaddition depends on the pyrrole, electrophile, solvent, temperature, the presence of Lewis acids, and in some cases, concentration The iminium C of both 2H- and 3H-pyrrolium tautomers is considerably less electrophilic than its organic analogs, but readily undergoes borohydride reduction to form complexes of 3- and 2-pyrrolines, resp. When pyrrole complexes are combined with alkyne Michael acceptors, the intermediate enolate can be trapped by the iminium C of the 3H-pyrrolium species in DMSO to form a metalated cyclobutene derivative, e.g., II (R1 = COMe, R2 = H; R1 = CO2Me). Decomplexation of most pyrrole and 3-pyrroline derivatives can be accomplished in good yield either by heating or by oxidation of the metal (CeIV or DDQ). Complexes of 2-pyrrolines are considerably more difficult to remove from the metal; however, quaternization or acylation of the nitrogen facilitates their decomplexation.

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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

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 Elucidation of the mechanism of pyrrole formation during thermal degradation of 13C-labeled L-serines, published in 2001-07-31, which mentions a compound: 616-43-3, mainly applied to serine Maillard reaction pyrrole pyrazine, Recommanded Product: 616-43-3.

Pyrolysis of [13C-1], [13C-2] and [13C-3]-labeled L-serines generated mono-substituted Me and Et derivatives of pyrroles and pyrazines among other compounds Analyses of label incorporation into the pyrroles have indicated their formation through aldol condensation of acetaldehyde with different α-aminocarbonyl compounds followed by cyclization and loss of water (Knorr pyrrole synthesis). Comparison of the label incorporation patterns of the α-aminocarbonyls involved in the formation of Me and ethyl-substituted pyrroles with that of similarly substituted pyrazines, revealed their common origin. In addition, α-aminocarbonyls involved in the formation of 2- and 3-substituted pyrroles had identical label distribution patterns, indicating their formation through the same carbonyl precursors. Furthermore, the major pathway (55%) leading to the formation of the α-aminocarbonyl precursors of methyl-substituted pyrroles involved aldol addition of formaldehyde to glycolaldehyde, whereas the only pathway leading to the formation of the α-aminocarbonyl precursors of ethyl-substituted pyrroles involved the interaction of alanine – formed in situ – with glycolaldehyde.

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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 《Hydrogenation of pyridine and α-picoline over Raney nickel-aluminum catalyst》. Authors are Shuikin, N. I.; Brusnikina, V. M..The article about the compound:3-Methyl-1H-pyrrolecas:616-43-3,SMILESS:CC1=CNC=C1).SDS of cas: 616-43-3. Through the article, more information about this compound (cas:616-43-3) is conveyed.

Hydrogenation of pyridine at 200° in a flow system over Raney Ni-Al catalyst gave piperidine, its azeotropic mixture with H2O (b739 90-2°, n20D 1.4320, d20 0.9277), and 2-methylpyridine. At low feed rate there was also formed some 3-methylpyrrole, 10% 2-propylpiperidine, and possibly some N-cyclopentylpiperidine. Hydrogenation of 2-picoline gave 2-pipecoline and some 3-methylpyrrole.

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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, Hokkaido Daigaku Kogakubu Kenkyu Hokoku called Computer program for calculating the nuclear magnetic double resonance spectrum, Author is Fukui, Hiroyuki; Sohma, Junkichi, the main research direction is computer program double NMR; methylpyrrole double NMR; pyrrole methyl double NMR.Category: chiral-oxygen-ligands.

A computer program for simulating a NMR spectrum was developed based on the theory which takes the mixing of energy levels by the irradiating radio-frequency field into account. The program is applicable to all types of spin systems up to 6 spins with I = 1/2. It was successfully applied to the calculation of the double resonance spectrum of the N-H proton of 3-methylpyrrole.

Compound(616-43-3)Category: chiral-oxygen-ligands received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(3-Methyl-1H-pyrrole), if you are interested, you can check out my other related 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

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, Zeitschrift fuer Lebensmittel-Untersuchung und -Forschung called 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, the main research direction is pyrrole aroma coffee roasting model; serine threonine sucrose pyrrole.Formula: C5H7N.

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.

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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 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, Article, Research Support, Non-U.S. Gov’t, Bioresource Technology called Pyrolysis of fast-growing aquatic biomass -Lemna minor (duckweed): Characterization of pyrolysis products, Author is Muradov, Nazim; Fidalgo, Beatriz; Gujar, Amit C.; T-Raissi, Ali, which mentions a compound: 616-43-3, SMILESS is CC1=CNC=C1, Molecular C5H7N, Recommanded Product: 616-43-3.

The aim of this work was to conduct the exptl. study of pyrolysis of fast-growing aquatic biomass -Lemna minor (commonly known as duckweed) with the emphasis on the characterization of main products of pyrolysis. The yields of pyrolysis gas, pyrolytic oil (bio-oil) and char were determined as a function of pyrolysis temperature and the sweep gas (Ar) flow rate. Thermogravimetric/differential thermogravimetric (TG/DTG) analyses of duckweed samples in inert (helium gas) and oxidative (air) atm. revealed differences in the TG/DTG patterns obtained for duckweed and typical plant biomass. The bio-oil samples produced by duckweed pyrolysis at different reaction conditions were analyzed using GC-MS technique. It was found that pyrolysis temperature had minor effect on the bio-oil product slate, but exerted major influence on the relative quantities of the individual pyrolysis products obtained. While, the residence time of the pyrolysis vapors had negligible effect on the yield and composition of the duckweed pyrolysis products.

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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 polarographic reducibility of some alkylpyrroles》. Authors are Scaramelli, Giuseppe.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.

In addition to pyrrole itself, the following derivatives were found to be polarographically nonreducible: 1- and 2-Me, 1-allyl, 2,4-di-Me and 2,5-di-Me, 3-methyl-4-ethyl, 2,3,5-trimethyl, 2,5-dimethyl-1-ethyl, 2,4-dimethyl-3-ethyl, 2,4-dimethyl-3-propyl, 2,4-dimethyl-3-ethyl-1-carbethoxy, and 2,4-dimethyl-3,5-dicarbethoxy.

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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