Category: 2199-44-2

Name: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. 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 Double-helical dinuclear bis(dipyrromethene) complexes Formed by self-assembly. Author is Thompson, Alison; Dolphin, David.

Bis(dipyrromethene) ligands linked by an alkyl spacer between β and β’ positions (I; n = 1, 2, 3) give helical dimers or monomers, dependent upon the length of the alkyl linker, upon complexation. Ligands consisting of methylene, ethylene, and propylene linkers -(CH2)n- (n = 1, 2, and 3) give helical dimers, while longer linking chains (n = 4, 5, or 6) give monomers or mixtures of dimers and monomers. X-ray crystal structures of the dimeric Zn complexes (n = 1, 2, and 3) reveal that the angles between dipyrromethene planes and the extent of helicity in the complexes differ as the length of the linker varies. The extent of helicity was assessed and is dependent upon the length and, specifically, the conformational preferences of the alkyl spacer unit. The presence of an ethylene linker gave complexes of greatest helicity. The use of a methylene spacer gave less helical structures upon complexation, while propylene spacers gave only slightly helical complexes. These studies identify the crucial importance that the conformational preferences of the β-β’ alkyl spacer group plays in the coordination algorithm of self-assembly to form dipyrromethene based complexes.

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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: 2199-44-2, is researched, SMILESS is O=C(C1=C(C)C=C(C)N1)OCC, Molecular C9H13NO2Journal, Russian Journal of General Chemistry called Synthesis and spectral properties of helicate of cobalt(II) with Bis(1,2,3,7,9-pentamethyldipyrrolylmethen-3-yl)methane, Author is Antina, L. A.; Dudina, N. A.; Berezin, M. B.; Guseva, G. B., the main research direction is dinuclear cobalt bisdipyrrolylmethenylmethane complex preparation.Application of 2199-44-2.

Ligand bis(1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)methane (H2L) was synthesized as a hydrobromide salt (H2L·2HBr) (1). Reaction of cobalt(II) acetate tetrahydrate with compound (1) in a chloroform/methanol mixture in the presence of triethylamine afforded a binuclear homoleptic double-helical complex [Co2(L)2] (2). UV absorption, 13C and 1H NMR spectra were used to characterize the compounds 1 and 2.

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Paine, John B. III; Dolphin, David published an article about the compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2,SMILESS:O=C(C1=C(C)C=C(C)N1)OCC ).Safety of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. 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:2199-44-2) through the article.

Pyrrole-2-carboxylates I (R = Me, Et; R1 = H, Me, Et, Pr, CH2CO2Me, CH2CH2CO2Me; R2 = Me, Et, Pr, CH2CH2CO2Et), versatile precursors for the total synthesis of both synthetic model and naturally occurring tetrapyrroles and porphyrins, were prepared in greatly improved yields by the addition of RCOCHR1COR2 and H2NCH(CO2)Et)2 to AcOH. The method is suitable for both small- and large-scale synthesis and has proved far more reliable than the in situ Zn reduction of HON:C(CO2Et)2. Yields range from 60-70% for the dominant product isomer from unsym. diketones to 75-90% for the single product derived from sym. diketones. RCOCHR1COR2 were prepared by treating RCOCHR1 with (R2CO)2O in the presence of BF3.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《A novel route to certain 2-pyrrolecarboxylic esters and nitriles》. Authors are Kleinspehn, Geo. G..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).Reference of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate. Through the article, more information about this compound (cas:2199-44-2) is conveyed.

HON:C(CO2Et)2 (I) underwent reduction and condensation with certain β-diketones and a β-oxo aldehyde to give 2-pyrrolecarboxylic esters. Similarly, HON:C(CN)CO2Et (II) and certain β-diketones afforded 2-pyrrolecarbonitriles. The method has been applied to the synthesis of 5 previously known pyrroles. This synthetic approach constitutes the most direct route to 4 of these 5 pyrroles. A sixth and previously unreported pyrrole, 3,5-dimethyl-2-pyrrolecarbonitrile (III), also has been prepared by this method. Ac2CH2 (5.00 g.) in 26 cc. glacial AcOH heated with vigorous stirring at 80° with 13 g. NaOAc and 11 g. Zn dust, the mixture then treated with 9.47 g. I in 12 cc. AcOH and 5 cc. H2O dropwise at 95-105° during 30-40 min., heated 20 min. at 100-5°, poured with stirring into 170 cc. ice water, and refrigerated, the precipitate washed with H2O, pressed dry, dissolved in 50 cc. boiling EtOH, and filtered hot, the filtrate concentrated to 30 cc., poured into 85 cc. ice water, and refrigerated, and the crystalline deposit dried in vacuo (5.03 g.), and recrystallized twice from 95% EtOH yielded 2-carbethoxy-3,5-dimethylpyrrole (IV), m. 124-4.5°. I and Ac2CHEt (50 millimole each), b23-3.5 79-83.5°, gave by the same procedure 6.36 g. 4-Et derivative of IV, m. 90-1° (from 95% EtOH). I and Ac2CH(CH2)2CO2H (50 millimoles) treated in the same manner, the reaction mixture treated with 5 cc. concentrated HCl, and the crude product (7.08 g.) recrystallized from boiling C6H6 gave 5-carbethoxy-2,4-dimethyl-3-pyrrolepropionic acid, m. 154-6°. NaOAc (7.9 g.) added with stirring to 29 cc. glacial AcOH at 85°, the mixture treated with 7.00 g. AcCHMeCHO, 9.48 g. I, and 12 cc. glacial AcOH in 5 cc. H2O, followed by 11 g. Zn dust at 95-105°, stirred 20 min., poured into 170 cc. ice water, and refrigerated, and the deposit dissolved in 10 cc. boiling EtOH and filtered, the filtrate poured into 20 cc. ice water, and the precipitate (2.49 g.) recrystallized from 95% EtOH and then twice from isoöctane gave 2-carbethoxy-3,4-dimethylpyrrole (V), m. 75-6.5°. V heated briefly in EtOH with excess 40% aqueous CH2O and a few drops concentrated HCl yielded 5,5′-methylenebis(2-carbethoxy-3,4-dimethylpyrrole), m. 202-3°. II and Ac2CH2 (50 millimoles each) treated by the usual procedure, the crude product containing the Zn dust dissolved in 25 cc. boiling 95% EtOH, and the filtrate poured into 75 cc. ice water yielded 2.48 g. IV, m. 24-5° (recrystallized from EtOH and sublimed). Glacial AcOH (26 cc.) and 5.00 g. Ac2CH2 heated to 80°, the mixture treated consecutively with 13 g. NaOAc, 7.11 g. II, and 12 cc. AcOH in 5 cc. H2O, heated to 95°, treated during 20-5 min. with 11 g. Zn dust at 95-105°, stirred 20 min., and poured into ice water, the precipitate refrigerated, filtered off, dissolved in 15 cc. boiling EtOH, and filtered, the filtrate stirred into 30 cc. ice water and refrigerated, and the crude precipitate (2.10 g.) recrystallized twice from isoöctane yielded III, m. 75-6.5°. II and Ac2CHEt gave similarly 45% crude 4-Et derivative of III, m. 135-6°.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Synthesis and protonation studies of a meso-unsubstituted surfactant porphyrin》. Authors are Ringuet, Michel; Gagnon, Jacques.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).Category: thiazolidine. Through the article, more information about this compound (cas:2199-44-2) is conveyed.

The surfactant porphyrin I was prepared Spectroscopic studies show that intermol. protonation occurs between the side-chain carboxyl groups and the inner N atoms of I, giving a porphyrin dication. In 5 × 10-5M CHCl3 solution, 27% of the porphyrin mols. are in the dicationic form and they are self-associated with some of the remaining mols. in the free base form.

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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: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Molecular Rectangle Formed by Head-to-tail Self-Assembly of 1-(Dipyrrin-2-yl)-1′-(dipyrrin-3-yl)methane.Name: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate.

1-(Dipyrrin-2-yl)-1′-(dipyrrin-3-yl)methane (I), the N-confused analog of biladiene-ac, was prepared by condensation of 2,3′-dipyrromethane with two mols. of 2-formylpyrrole in CH2Cl2 in the presence of HBr. Self-assembly of the ligand with Zn(II) in CH2Cl2 and MeOH offers a dinuclear dimeric complex with a ligand:metal ratio of 2:2. X-ray crystal structure anal. reveals two ligands bound through a head-to-tail pattern to two Zn centers to form a severely distorted helical conformation, which has the shape of a rectangle.

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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2 ) is researched.Category: thiazolidine.Berezin, M. B.; Semeikin, A. S.; Yutanova, S. L.; Antina, E. V.; Guseva, G. B.; V’yugin, A. I. published the article 《Synthesis and properties of (1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)-(1,2,3,7,8-pentamethyldipyrrolylmethen-9-yl)methane and bis(1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)trifluoromethylmethane dihydrobromides》 about this compound( cas:2199-44-2 ) in Russian Journal of General Chemistry. Keywords: bisdipyrrolylmethene preparation UVvis thermal oxidative degradation. Let’s learn more about this compound (cas:2199-44-2).

(1,2,3,7,9-Pentamethyldipyrrolylmethen-8-yl)(1,2,3,7,8-pentamethyldipyrrolylmethen-9-yl)-methane and bis(1,2,3,7,9-pentamethyldipyrrolylmethen-8-yl)trifluoromethylmethane hydrobromides were synthesized and characterized spectrally (1H NMR, IR, electron absorption spectra). A comparative study was performed of the effect of the bonding site (α- or β-position of the dipyrrolylmethene) with the methane structural fragment connecting two dipyrrolylmethene chromophores, and trifluoromethyl group on the spectral properties of the mols. of compounds dissolved in organic solvents of different nature and their resistance to thermal oxidative degradation

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Category: thiazolidine. 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 Synthesis and spectral properties of new 3,3′-bis(dipyrrolylmethene) with acetylene spacer. Author is Antina, E. V.; Guseva, G. B.; Loginova, A. E.; Semeikin, A. S.; V’yugin, A. I..

Bis(2,4,7,9-tetramethyl-8-ethyldipyrrolylmethen-3-yl)acetylene dihydrobromide (H2L·2HBr), new bis(dipyrrolylmethene), in whose mol. dipyrrolylmethene domains were connected through 3,3′-carbon atoms of internal pyrrole nuclei by acetylene spacer, were synthesized by original procedure. The compound was characterized by element anal., IR, 1H NMR, and electronic spectroscopy. The comparative anal. of spectral properties shows the reduction of the basicity of H2L ligand in comparison with the structural analogs, which contain internal methylene spacer. The quantum-chem. simulation showed that the rigid acetylene spacer gives linear structure to the H2L mol. in contrast to the spiral-shaped geometry of structural analogs with -CH2- spacer.

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Protonated Nitrogen Structure in 15N-Labeled Model Coal Investigated by Solid-State 1H-15N Double-CP NMR Experiments under Ultrafast Magic-Angle Spinning, the main research direction is protonated nitrogen structure labeled model coal investigated solid NMR.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 preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2 ) is researched.Formula: C9H13NO2.Thompson, Alison; Gao, Susan; Modzelewska, Gosia; Hughes, David S.; Patrick, Brian; Dolphin, David published the article 《x-ray Crystallographic and 13C NMR Investigations of the Effects of Electron-Withdrawing Groups on a Series of Pyrroles》 about this compound( cas:2199-44-2 ) in Organic Letters. Keywords: crystallog carbon NMR electron withdrawing group pyrrole derivative. Let’s learn more about this compound (cas:2199-44-2).

Pyrroles substituted with various electron-withdrawing groups (EWGs) on the N atom were synthesized and full characterization including x-ray crystal structures obtained. Anal. of 13C chem. shifts and x-ray crystal structures reveals that a trend between decreased aromaticity and the strength of the EWG exists. Exptl. results regarding alternative mechanisms of nucleophilic substitution reactions can thus be rationalized.

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