Tag: M.W:100-200

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.Quality Control of Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate.Jones, R. Alan; Rustidge, David C.; Cushman, Susan M. published the article 《Pyrrole studies. XXX. A critical evaluation of the Knorr synthesis of trifluoromethylpyrroles and the reactivity of diethyl 4-trifluoromethyl-2-methylpyrrole-3,5-dicarboxylate》 about this compound( cas:2199-44-2 ) in Synthetic Communications. Keywords: pyrrolecarboxylate ester trifluoromethyl derivative; Knorr synthesis trifluoromethylpyrrole; nitrosation trifluoroacetoacetate. Let’s learn more about this compound (cas:2199-44-2).

Pyrroles I (R = CO2Et, COMe) were prepared from F3CCOCH2CO2Et (II) and MeCOCH2R. II was nitrosated in HOAc, the mixture was refluxed, MeCOCH2CO2Et was added, Zn dust was introduced, and the new mixture was refluxed to give I (R = CO2Et). The nitrosation of MeCOCH2CO2Me and treatment of the product with II and Zn gave pyrrole III.

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Antina, E. V.; Guseva, G. B.; Loginova, A. E.; Semeikin, A. S.; V’yugin, A. I. published the article 《Synthesis and spectral properties of new 3,3′-bis(dipyrrolylmethene) with acetylene spacer》. Keywords: bistetramethyl ethyldipyrrolylmethenyl acetylene dihydrobromide preparation; quantum chem simulation conformation spectral.They researched the compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate( cas:2199-44-2 ).SDS of cas: 2199-44-2. 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:2199-44-2) here.

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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Related Products of 2199-44-2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Synthesis of higher aliphatic pyrrolyl ketones. Author is Zhestkov, V. P.; Mironov, A. F.; Evstigneeva, R. P..

Alkylation of Et 3,5-dimethylpyrrole-2-carboxylate (I; R = CO2Et, R1 = H) by MeO2CCH2COCl in MeNO2 containing SnCl4 gave 65% pyrrole-3-propionate (I; R = CO2Et, R1 = COCH2CO2Me) which was alkylated by octyl bromide to give I [R = CO2Et, R1 = COCH(CO2Me)(CH2)7Me]. Subsequent decarboxylation at 200° gave 44% 2,4-dimethyl-3-(1-oxodecyl)pyrrole [I; R = H, R1 = CO(CH2)8Me].

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Synthetic Route of C7H4ClN3O2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 2-Chloro-7-nitro-1H-benzo[d]imidazole, is researched, Molecular C7H4ClN3O2, CAS is 15965-55-6, about Benzimidazoles. Prototropic equilibriums and product distribution from methylation of substituted 2-chlorobenzimidazoles. Author is Vivarelli, Piero; Taddei, Ferdinando.

Methylation of the benzimidazoles I (R = Me, MeO, Cl, NO2, R1 = H) gave equal amounts of II and III. Methylation of I (R = H, R1 = Me, MeO, Cl, NO2) gave II and a larger amount of III. The ratio of tautomers was determined by NMR.

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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).HPLC of Formula: 2199-44-2. 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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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, N.I.H., Extramural, Analytical Chemistry called Automated Microflow NMR: Routine Analysis of Five-Microliter Samples, Author is Jansma, Ariane; Chuan, Tiffany; Albrecht, Robert W.; Olson, Dean L.; Peck, Timothy L.; Geierstanger, Bernhard H., 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.

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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Product Details of 2199-44-2. 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 Deacylation and deformylation of pyrroles.

3-Acetyl- and 3-formyl-pyrroles are smoothly deacylated using either ethanedithiol/BF3 or (more conveniently) ethylene or neopentyl glycols in presence of p-MeC6H4SO3H. The reaction does not proceed when the acetyl or formyl group is in the 2-position, and in these cases the corresponding ketal or acetal is isolated. A mechanism for the deacylation process is proposed and is confirmed by deacylation of a pyrrole I bearing a cyclopentanone ring; under these circumstances the cleaved group is retained in the pyrrole II, and is identified.

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COA of Formula: C9H13NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about The reaction of β-aminoenones with α-amino derivatives. Synthesis of 2-functionalized pyrroles. Author is Alberola, Angel; Andres, Jose M.; Gonzalez, Alfonso; Pedrosa, Rafael; Vicente, Martina.

β-Aminoenones react with Et glycinate, α-aminoacetonitrile and α-aminoacetamide hydrochlorides leading to 2-functionalized pyrroles. Although the transamination is a high-yield process, the transformation of the intermediate, in both basic or thermally induced conditions, affords the corresponding pyrroles in poor to moderate yields. Thus, transamination of AcCH:CMeNH2 with EtO2CCH2N+H3 in MeOH gave 89% AcCH:CMeNHCH2CO2Et which on cyclization in EtONa/EtOH gave 33% Et 3,5-dimethyl-2-pyrrolecarboxylate.

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Formula: C9H13NO2. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate, is researched, Molecular C9H13NO2, CAS is 2199-44-2, about Pyrrole studies. XXX. A critical evaluation of the Knorr synthesis of trifluoromethylpyrroles and the reactivity of diethyl 4-trifluoromethyl-2-methylpyrrole-3,5-dicarboxylate. Author is Jones, R. Alan; Rustidge, David C.; Cushman, Susan M..

Pyrroles I (R = CO2Et, COMe) were prepared from F3CCOCH2CO2Et (II) and MeCOCH2R. II was nitrosated in HOAc, the mixture was refluxed, MeCOCH2CO2Et was added, Zn dust was introduced, and the new mixture was refluxed to give I (R = CO2Et). The nitrosation of MeCOCH2CO2Me and treatment of the product with II and Zn gave pyrrole III.

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Category: thiazolidine. 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 Pyrroles with isoprenoid substituents.

Pyrroles I (R1 = CO2Et, R2 = Me, CHO; R1 = I, R2 = CHO, 4,4,6-trimethyl-m-dioxan-2-yl; R1 = H, R2 = CHO) were prepared in 53-92% yield, e.g., acylation of 2,4-dimethyl-5-carbiethoxypyrrole with Me[MeCHCH2CH2CH2]3COCl gave 53% I (R1 = CO2Et, R2 = Me) (II). Treatment of II with NaBH4 gave 96% III [R1 = CH(OH)(CH2CH2CH2CHMe)3Me], which was dehydrated to give 93% III [R1 = CH:CH(CH2CH2CHMeCH2)3H]. III [R1 = CH2CH2(CH2CH2CHMeCH2)3H, CCl:CH(CH2CH2CHMeCH2)3H, CC(CH2CH2CHMeCH2)3H] were also prepared

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