Category: 2199-44-2

Name: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Some mercuration reactions of substituted pyrroles. Author is Ganske, Jane A.; Pandey, Ravindra K.; Postich, Michael J.; Snow, Kevin M.; Smith, Kevin M..

Mercuration of N-unsubstituted pyrroles with mercury(II) acetate results in immediate precipitation of the N-mercurated derivative, which is insoluble in virtually all organic solvents. If the pyrrole N atom is protected (e.g. with Me, CH2OCH2Ph, or CO2CMe3) then mercuration takes place efficiently at unsubstituted pyrrole carbons. Subsequent palladium/olefin (Heck-type) reactions afford the corresponding pyrrole acrylate when, for example, the olefin is Me acrylate; deprotection (when the N-substituent is CH2OCH2Ph or CO2CMe3) then affords the required carbon-substituted pyrrole. Attempts to deprotect the N-methylpyrroles were unsuccessful.

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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate(SMILESS: O=C(C1=C(C)C=C(C)N1)OCC,cas:2199-44-2) is researched.Name: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. The article 《Acetylene condensation in a series of pyrroles》 in relation to this compound, is published in Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya. Let’s take a look at the latest research on this compound (cas:2199-44-2).

Condensation of Et 4-iodo-3,5-dimethylpyrrole-2-carboxylate with HCCR(R = Ph, morpholinomethyl) in Et2NH in the presence of Pd (PPh3)2Cl2 and CuI gave ethynylpyrroles I in 64 and 68% yield, resp. Similar reaction with HOCMe2CCH gave the deiodinated product in 18% yield. Treatment of II (R = I) with CuCCPh in pyridine-DMF at reflux gave 78.0% II (R = CCPh). Deiodination of III (R = I) (IV) was easier than with the 4-iodo-2-carboxylate derivative but more difficult than II (R = I). In the presence of Pd complex catalyst condensation of IV and PhCCH gave concurrent redn and substitution.

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Application In Synthesis of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. 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: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Some mercuration reactions of substituted pyrroles.

Mercuration of N-unsubstituted pyrroles with mercury(II) acetate results in immediate precipitation of the N-mercurated derivative, which is insoluble in virtually all organic solvents. If the pyrrole N atom is protected (e.g. with Me, CH2OCH2Ph, or CO2CMe3) then mercuration takes place efficiently at unsubstituted pyrrole carbons. Subsequent palladium/olefin (Heck-type) reactions afford the corresponding pyrrole acrylate when, for example, the olefin is Me acrylate; deprotection (when the N-substituent is CH2OCH2Ph or CO2CMe3) then affords the required carbon-substituted pyrrole. Attempts to deprotect the N-methylpyrroles were unsuccessful.

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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 Automated Microflow NMR: Routine Analysis of Five-Microliter Samples, published in 2005-10-01, which mentions a compound: 2199-44-2, Name is Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, Molecular C9H13NO2, Formula: C9H13NO2.

A microflow CapNMR probe double-tuned for 1H and 13C was installed on a 400-MHz NMR spectrometer and interfaced to an automated liquid handler. Individual samples dissolved in DMSO-d6 are submitted for NMR anal. in vials containing as little as 10 μL of sample. Sets of samples are submitted in a low-volume 384-well plate. Of the 10 μL of sample per well, as with vials, 5 μL is injected into the microflow NMR probe for anal. For quality control of chem. libraries, 1D NMR spectra are acquired under full automation from 384-well plates on as many as 130 compounds within 24 h using 128 scans per spectrum and a sample-to-sample cycle time of ∼11 min. Because of the low volume requirements and high mass sensitivity of the microflow NMR system, 30 nmol of a typical small mol. is sufficient to obtain high-quality, well-resolved, 1D proton or 2D COSY NMR spectra in ∼6 or 20 min of data acquisition time per experiment, resp. Implementation of pulse programs with automated solvent peak identification and suppression allow for reliable data collection, even for samples submitted in fully protonated DMSO. The automated microflow NMR system is controlled and monitored using web-based software.

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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.Antina, E. V.; Guseva, G. B.; Dudina, N. A.; V’yugin, A. I.; Semeikin, A. S. researched the compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2 ).Recommanded Product: 2199-44-2.They published the article 《Synthesis and spectral analysis of alkyl-substituted 3,3′-bis(dipyrrolylmethenes)》 about this compound( cas:2199-44-2 ) in Russian Journal of General Chemistry. Keywords: dipyrrolylmethene preparation fluorescence IR NMR; biline biladiene analog preparation mol structure property relationship; photosensitizer fluorescence photodynamic therapy dipyrrolylmethene preparation. We’ll tell you more about this compound (cas:2199-44-2).

Four new alkyl-substituted 3,3′-bis(dipyrrolylmethene) dihydrobromide derivatives containing from 4-10 alkyl substituents were synthesized. In a highly alkylated ligand among these substances one of the hydrogen atoms of the 3,3′-methylene spacer was substituted with a Ph group. The compounds obtained were studied by IR, 1H NMR, electron absorption and fluorescent spectroscopy. The increased alkylation degree of pyrroles and the introduction of an aryl substituent in the 3,3′-spacer causes a significant high-frequency shift of the N-H stretching vibrations in the IR spectra, an upfield shift of the NH-proton signals in NMR spectra, a decrease in the auxochromic effects of protons on the aromatic system of chromophore in the composition of salts. The red shift of maximum of the strong band in electron absorption spectra and the emission spectra of compounds in DMF, DMSO, C5H5N, C6H6, and CHCl3 was established. The salts obtained are stable in benzene and chloroform, while in electron-donor solvents the irreversible processes of solvolytic dissociation of salts to free organic base and HBr take place.

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Recommanded Product: 2199-44-2. 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: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Free energy relationships of ionization energies measured by ultraviolet photoelectron spectroscopy in substituted pyrroles. Author is Cauletti, Carla; Giancaspro, Carlo; Monaci, Anna; Piancastelli, M. Novella.

The ionization energies of six 5-substituted-3-ethoxycarbonyl-2,4-dimethylpyrroles and seven 4-substituted 2-ethoxycarbonyl-3,5-dimethylpyrroles were determined by UPS. The relations between the lowest ionization potentials and σ were determined and the different influence of substituents in the α- and β-positions is discussed.

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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, Energy & Fuels called Protonated Nitrogen Structure in 15N-Labeled Model Coal Investigated by Solid-State 1H-15N Double-CP NMR Experiments under Ultrafast Magic-Angle Spinning, Author is Okushita, Keiko; Hata, Yuki; Sugimoto, Yoshikazu; Takahashi, Takafumi; Kanehashi, Koji, which mentions a compound: 2199-44-2, SMILESS is O=C(C1=C(C)C=C(C)N1)OCC, Molecular C9H13NO2, Computed Properties of C9H13NO2.

The nitrogen structure in coals has been focused on as a key factor for reducing NOx. Solid-state NMR (NMR) with high spectral resolution can be an effective tool for analyzing the nitrogen structure of coals once higher sensitivity is achieved in the future. To investigate the nitrogen structure in coals and coal-related mols., we acquired quant. 15N magic-angle spinning (MAS) NMR spectra of 15N-labeled synthesized coals produced from three different types of 15N-reagents. There were some variations in the relative peak intensity ratios of 15N MAS NMR spectra of the three model coals; in particular, the 15N-uracil-origin model coal showed a remarkable difference. Then, we elucidated the chem. environment around the 15N nuclei in the synthesized 15N-labeled coals using 1H-15N double cross-polarization techniques under the ultrafast MAS condition. From the 2D NMR results, it was clarified that there exist not only pyrrolic nitrogen groups but also amide-type nitrogen functional groups in the 1H-15N bonded region of the model coal with a sub-bituminous-level degree of carbonization.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Nitropyrroles. III. Ultraviolet absorption spectra and tautomeric transformations of some nitropyrroles》. Authors are Novikov, S. S.; Belikov, V. M.; Egorov, Yu. P.; Safonova, E. N.; Semenov, L. V..The article about the compound:Ethyl 3,5-Dimethyl-2-pyrrolecarboxylatecas:2199-44-2,SMILESS:O=C(C1=C(C)C=C(C)N1)OCC).Application In Synthesis of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. Through the article, more information about this compound (cas:2199-44-2) is conveyed.

cf. ibid. 1307. Examination of the ultraviolet absorption spectra of some nitropyrroles showed the possibility of identification of these substances and confirmed the structure of 1-methyl-3,4-dinitropyrrole. Acidity of N-unsubstituted pyrrole with nitro groups in the ring increases with increasing number of NO2 groups and with transfer of NO2 group from 3- to 2-position, probably owing to the inductive effect of the group on the NH bond. This phenomenon is discussed in connection with tautomerism of nitropyrroles. The following absolute maximum are reported: pyrrole 210 and 240 mμ; 3-methyl-4-ethylpyrrole 200; 2-ethoxycarbonyl-3,5-dimethylpyrrole 240 and 276; 3-ethoxycarbonyl-2,4-dimethylpyrrole 232 and 259; 2-acetyl-3,5-dimethyl-4-ethylpyrrole 266 and 308; 2,4-dimethyl-3-acetylpyrrole 251 and 280. Spectra of nitropyrroles are shown at various pH values. In basic media these show a maximum at about 400 mμ.

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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.Dudina, N. A.; Berezin, M. B.; Guseva, G. B.; Semeikin, A. S. researched the compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2 ).COA of Formula: C9H13NO2.They published the article 《Synthesis and spectral properties of 3,3′-bis(dipyrrolylmethene)》 about this compound( cas:2199-44-2 ) in Russian Journal of General Chemistry. Keywords: pyrrole carboxylate benzaldehyde pyrrolylaldehyde condensation; dipyrrolylmethene preparation; pyrrolylidene pyrrolemethane preparation. We’ll tell you more about this compound (cas:2199-44-2).

Bis(2,4,7,8,9-pentamethyldipyrrolylmethen-3-yl)(4′-methoxyphenyl)methane dihydrobromide was synthesized and its spectral properties were studied. The basicity of the ligand 3,3′-bis-(dipyrrolylmethene) decreases upon insertion of the methoxyphenyl group in the 3,3′-spacer.

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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: 2199-44-2, is researched, Molecular C9H13NO2, about Improved synthesis of covalently strapped porphyrins. Application to highly deformed porphyrin synthesis, the main research direction is porphyrin strapped; polymethyleneporphyrin.Application of 2199-44-2.

The title porphyrins I (n = 1, 2, 3) were prepared α,ω-Dicarboxyalkyl dichloride, was treated with 2 equiv of 2-(ethoxycarbonyl)-3,5-dimethylpyrrole, and the chain-linked bis[5-(ethoxycarbonyl)pyrrole] so obtained was transformed into the pyrrole-2-carboxaldehyde by using standard methodol. Protection of the formyl groups as the dicyanovinyl derivative and the activation of the 2-Me substituents with SO2Cl2 gave the bis[2-(chloromethyl)pyrrol)], which on reaction with a 5-unsubstituted 2-pyrrolecarboxylate, in warm AcOH, afforded the chain-linked dipyrromethane dimer in high yield. Regeneration of the formyl substituents and removal of the ester group produced the 5-formyldipyrromethane dimer II, which was cyclized intramolecularly, under high dilution, to give I. II (n = 0) failed to cyclize.

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