Category: imidazoles-derivatives

Fan, J. published the artcileSynthesis and crystal structure of a one-dimensional coordination polymer of nickel(II) with 4′-(imidazol-1-ylmethyl)benzoate anion, Application In Synthesis of 94084-75-0, the main research area is crystal structure nickel imidazolylmethylbenzoate aqua polymer; nickel imidazolylmethylbenzoate aqua polymer preparation structure.

A 1-dimensional (1D) coordination polymer, [NiII(imbz)2(H2O)2]n (1; imbz-= 4′-(imidazol-1-ylmethyl)benzoate) was synthesized by treatment of Ni(CH3COO)2·4H2O with a piperidinium salt of 4′-(imidazol-1-ylmethyl)benzoic acid and. 1 Was characterized by x-ray crystallog. The TGA and magnetic property of the 1 are also reported.

Inorganic Chemistry Communications published new progress about Crystal structure. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Application In Synthesis of 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Takeuchi, Yoshio published the artcileAdjacent lone pair (ALP) effects in heteroaromatic systems. 2. Isotope exchange of ring hydrogens in nitro- and fluoroimidazoles, Formula: C3H3FN2, the main research area is adjacent lone pair effect; hydrogen exchange nitroimidazole fluoroimidazole; imidazole nitro fluoro exchange.

The ring protons of nitro- and fluoroimidazoles (and their N-Me derivatives) undergo base-catalyzed exchange in D2O by a combination of carbanion (C) and ylide (Y) pathways, which involve proton abstraction from the neutral imidazole species and from the imidazolium ion, resp. In 4-substituted imidazoles, C exchange occurs more readily at C-5 than at C-2, log kC correlating with σo° for the NH- and with σp° for the N-Me series. For 1-methyl-4-nitroimidazole, t1/2 = 2 min at C-5 (50°, 0.2 N NaOD). In 1-methyl-5-X-imidazoles, exchange at C-4 occurs only via the Y pathway, carbanion formation in the neutral species being retarded by the adjacent lone pair (ALP) effect at N-3. The same effect is seen in the lack of C exchange at C-4 in 1-methylimidazoles. The ALP effect is considerably weaker or nonexistent at C-2. Most exchanges across the ring show correlations of log k with ςm°. 4-Alkylimidazoles (but not 1,4-dialkylimidazoles) show enhanced C exchange at C-5, which may result from the existence of a trace concentration of the ketimine tautomer. Enhanced exchange at C-5 in 2-fluorohistidine is ascribed to a combination of the ketimine effect, C exchange involving catalysis by OH and intramol. general-base catalysis by the side-chain primary-amine function. The use of buffer catalysis for the T labeling of poorly reactive imidazoles is described.

Journal of Organic Chemistry published new progress about Exchange reaction. 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Formula: C3H3FN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Lopyrev, V. A. published the artcileTransmission of the substituent effects in 2-substituted benzimidazoles studied by proton and carbon-13 nuclear magnetic resonance, Application of Methyl 1H-benzo[d]imidazole-2-carboxylate, the main research area is benzimidazole NMR substituent effect; transmission electronic effect benzimidazole substituent; solvent effect benzimidazole NMR; LFER benzimidazole NMR.

Substituent effects on the 1H and 13C NMR chem. shifts in 2-substituted benzimidazoles and their anions and cations were studied quant. The transmission of electron effects of substituents from C-2 to C-5(6) is approx. 20% less effective than in the opposite direction. The solvent effects on 1H chem. shifts and transmission effects in the charged forms of 2-substituted benzimidazoles were also studied.

Organic Magnetic Resonance published new progress about Linear free energy relationship. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Application of Methyl 1H-benzo[d]imidazole-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ogretir, Cemil published the artcileAM1 and PM3 study of the protonation tautomerization and valence tautomerization of some 4-substituted imidazoles, Product Details of C3H3FN2, the main research area is MO protonation tautomerization substituted imidazole; valence tautomerization substituted imidazole.

The gas-phase geometries, relative stabilities, ionization potentials and proton affinities of the different tautomers of some 4-substituted imidazoles and their N-Me derivatives were calculated with full geometry optimization. The predominance of the a (i.e. 1H-form) form with an electron-acceptor group at the 4-position over the b (i.e. 3H-form) form and the predominance of the b (i.e. 3H-form) form with an electron-donor group at the 4-position over the a (i.e. 1H-form) form were confirmed. A correlation between exptl. obtained acidity constants, pKa, and calculated proton affinities was detected.

Journal of Molecular Structure: THEOCHEM published new progress about AM1 (molecular orbital method). 30086-17-0 belongs to class imidazoles-derivatives, name is 5-Fluoro-1H-imidazole, and the molecular formula is C3H3FN2, Product Details of C3H3FN2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Li, Rong published the artcileDesign, Synthesis, and Biological Evaluation of New 1H-Imidazole-2-Carboxylic Acid Derivatives as Metallo-β-Lactamase Inhibitors, Product Details of C9H8N2O2, the main research area is imidazole carboxylic acid derivative metallo beta lactamase inhibitor; Antibiotic resistance; Metal-binding pharmacophore; Metallo-β-lactamase; Structure-activity relationship; VIM.

As one of important mechanisms to beta-lactam antimicrobial resistance, metallo-β-lactamases (MBLs) have been receiving increasing worldwide attentions. Ambler subclass B1 MBLs are most clin. relevant, because they can hydrolyze almost all beta-lactams with the exception of monobactams. However, it is still lacking of clin. useful drugs to combat MBL-medicated resistance. We previously identified 1H-imidazole-2-carboxylic acid as a core metal-binding pharmacophore (MBP) to target multiple B1 MBLs. Herein, we report structural optimization of 1H-imidazole-2-carboxylic acid and substituents. Structure-activity relationship (SAR) analyses revealed that replacement of 1H-imidazole-2-carboxylic acid with other structurally highly similar MBPs excepting thiazole-4-carboxylic acid resulted in decreased MBL inhibition. Further SAR studies identified more potent inhibitors to MBLs, of which 28 manifested IC50 values of 0.018 μM for both VIM-2 and VIM-5. The microbiol. tests demonstrated that the most tested compounds showed improved synergistic effects; some compounds at 1 μg/mL were able to reduce meropenem MIC by at least 16-fold, which will be worth further development of new potent inhibitors particularly targeting VIM-type MBLs.

Bioorganic & Medicinal Chemistry published new progress about Antimicrobial agent resistance. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Product Details of C9H8N2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Karapanayiotis, Thanasis published the artcileDifferentiation of ionized benzimidazole from its isomeric α-distonic ion by collision-induced dissociation and neutralization-reionization mass spectrometry, HPLC of Formula: 5805-53-8, the main research area is benzimidazole radical cation distonic tautomer CID NR mass spectra.

Ionized benzimidazole and its isomeric α-distonic ion (or ionized ylide) have been examined by recording their metastable ion, collision-induced dissociation and neutralization-reionization mass spectra. These tautomers may be distinguished by careful consideration of key features of the collision-induced dissociation spectra, with or without prior neutralization and reionization. Formation of doubly-charged ions by charge stripping occurs preferentially when the α-distonic ion is subjected to collision. This α-distonic ion survives neutralization and reionization, thus establishing that the corresponding ylide is stable on the microsecond time frame. The effects of benzannulation on the ease of differentiation of classical and distonic radical cations derived from biol. important heterocycles are considered.

European Journal of Mass Spectrometry published new progress about Collision-induced dissociation. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, HPLC of Formula: 5805-53-8.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Alkorta, Ibon published the artcileA Theoretical Study on the Tautomerism of C-Carboxylic and Methoxycarbonyl Substituted Azoles, Product Details of C9H8N2O2, the main research area is tautomerism carboxylic methoxycarbonyl substituted azole B3LYP.

DFT calculations (B3LYP/6-31+G**) have been carried out on 106 tautomers and conformers of NH-azoles bearing CO2H and CO2CH3 groups. The following azoles systems have been studied: 2-substituted pyrroles, 2-substituted indoles, 2-substituted imidazoles, 2-substituted benzimidazoles, 4(5)-substituted imidazoles, 3(5)-substituted pyrazoles, 3-substituted indazoles (1H and 2H), 3,4(5)-substituted-1,2,3(5)-triazoles, 2,3(5)-substituted-1,2(3),4-triazoles, 4(5)-1,2,3,4(5)-tetrazoles. In the case of pyrazole, 3,5-disubstituted derivatives have also been computed, including four dimers.

Structural Chemistry published new progress about Azoles Role: PRP (Properties). 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Product Details of C9H8N2O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Musser, J. H. published the artcileA simple one-step synthesis of alkyl benzazol-2-carboxylates, Recommanded Product: Methyl 1H-benzo[d]imidazole-2-carboxylate, the main research area is benzoxazolecarboxylate ester; cyclocondensation aminophenol trialkoxyacetate; oxalate ortho ester cyclocondensation aminophenol.

Benzoxazoles, benzothiazole derivative, and benzimidazoles I (Z = CH, N; Z1 = O, S, NH, NPh; R = Me, Et; R1 = H and R2 = H, Cl, OMe, or R1R2 = benzo) were prepared from the resp. II and (RO)3CCO2R. Thus, 2-H2NC6H4OH was treated with (MeO)3CCO2Me to give I (R = Me, Z = CH, Z1 = O, R1 = R2 = H).

Synthetic Communications published new progress about Cyclocondensation reaction. 5805-53-8 belongs to class imidazoles-derivatives, name is Methyl 1H-benzo[d]imidazole-2-carboxylate, and the molecular formula is C9H8N2O2, Recommanded Product: Methyl 1H-benzo[d]imidazole-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Sundberg, Richard J. published the artcilePreparation of 2-aryl- and 2-(aryloxymethyl)imidazo[1,2-a]pyridines and related compounds, Related Products of imidazoles-derivatives, the main research area is aminopyridine phenacyl bromide cyclocondensation; aminopyrimidine phenacyl bromide cyclocondensation; aminothiazole phenacyl bromide cyclocondensation; imidazopyridine aryl bromide cyclocondensation; imidazolthiazole aryl bromide cyclocondensation; imidazopyrimidine aryl bromide cyclocondensation.

A series of arylimidazopyridines I (R = H, R1 = H, 6-Me, 7-Me, 6-NO2, 6-Cl, 6-iodo, 6-OMe, 6-SEt, 6-SPr; R2 = Br, NO2) were prepared by the cyclocondensation of 2-aminopyridines with 4-R2C6H4COCH2Br (II). I (R = H, R1 = 6-NHAc, 6-SOEt, 6-SO2Et, 6-cyano- 6-CHO, R2 = NHAc, NHSO2Me, NHSO2Ph, cyano, CHO, CO2Me, CONH2, CSNH2; R = Br, cyano, CHO, R1 = H, R2 = Me, Br, NO2) were also prepared Imidazolthiazoles III and imidazopyrimidines IV (R2 = NO2, NHAc, iodo, cyano, CHO) were prepared by the reactions of 2-aminothiazoles and 2-aminopyrimidine resp. with II (R2 = Br, NO2, iodo). Various other heterocyclic compounds, e.g., 4-R3CH2OC6H4CHO (R3 = 1-methylimidezol-2-yl, 2-pyridyl, 3-pyridyl, 4-pyridyl, 4-thiazolyl, etc.), were prepared by condensation reactions.

Journal of Heterocyclic Chemistry published new progress about Cyclocondensation reaction. 1023-01-4 belongs to class imidazoles-derivatives, name is 2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine, and the molecular formula is C14H11BrN2, Related Products of imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Sen, A. K. published the artcileSynthetic studies in the purine series: a new synthesis of theobromine and related compounds, Category: imidazoles-derivatives, the main research area is theobromine synthesis; purine alkyl; xanthine alkyl; imidazolecarboxamide amino cyclization carbonate; cyclization aminoimidazolecarboxamide carbonate; rearrangement aminoimidazoecarboxamide.

The imidazoles I (R = Me, H2C:CHCH2, PhCH2, Ph, R1 = CONH2) were methylated with p-MeC6H4SO3Me and the quaternary salts rearranged with NaOH to give the imidazoles II, which were cyclized with (EtO)2CO to give the xanthines III. I (R = PhCH2, R1 = CN) was similarly converted to 4-(benzylamino)-5-cyano-1-methylimidazole. III (R = PhCH2, Ph) were methylated with Me2SO4 to give the 1,7-dimethylxanthines.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about Cyclocondensation reaction. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, Category: imidazoles-derivatives.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem