Tag: M.W=200-250

Kulkarni, Surendra published the artcileNucleophilic displacements of imidazoles. I. Oxygen, nitrogen and carbon nucleophiles, Safety of 5-Bromo-2-methyl-4-nitroimidazole, the main research area is nitroimidazole halo nucleophile substitution regiochem; halonitroimidazole; iodonitroimidazole nucleophile substitution; bromonitroimidazole; methoxymethylnitroimidazole crystal mol structure.

Bromo- and iodonitroimidazoles I (R = Br, iodo; R1, R2 = H, Me) and II (same R, R1) undergo nucleophilic displacement with MeO-, PhO-, cyclic secondary amines, and cyanide. The regiochem. of the reaction of I (R = iodo; R1 = R2 = H) with MeO- was confirmed by x-ray crystallog. of the product I (R = MeO; R1 = R2 = H).

Australian Journal of Chemistry published new progress about Crystal structure. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Safety of 5-Bromo-2-methyl-4-nitroimidazole.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Suwinski, Jerzy published the artcileNitroimidazoles. Part V. Chloronitroimidazoles from dinitroimidazoles. A reinvestigation, Application In Synthesis of 18874-52-7, the main research area is chloronitroimidazole; imidazole chloronitro; nitroimidaxole replacement chlorine.

5(4)-Chloro- and 2-chloro-4(5)-nitroimidazole or their N-Me derivatives were prepared by ≥2 independent routes. Contrary to some former reports, only 2-chloro-4-(or 5)-nitroimidazoles were obtained from 2,4(or 5)-dinitroimidazoles. In 4,5-dinitroimidazoles only a nitro group in the 5 position was replaced by a chlorine atom.

Polish Journal of Chemistry published new progress about Substitution reaction. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Application In Synthesis of 18874-52-7.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Tetko, Igor V. published the artcileApplication of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database, Recommanded Product: 4-((1H-Imidazol-1-yl)methyl)benzoic acid, the main research area is partition ALOGPS QSAR.

The ALOGPS 2.1 was developed to predict 1-octanol/water partition coefficients, logP, and aqueous solubility of neutral compounds An exclusive feature of this program is its ability to incorporate new user-provided data by means of self-learning properties of Associative Neural Networks. Using this feature, it calculated a similar performance, RMSE = 0.7 and mean average error 0.5, for 2569 neutral logP, and 8122 pH-dependent logD7.4, distribution coefficients from the AstraZeneca “”inhouse”” database. The high performance of the program for the logD7.4 prediction looks surprising, because this property also depends on ionization constants pKa. Therefore, logD7.4 is considered to be more difficult to predict than its neutral analog. We explain and illustrate this result and, moreover, discuss a possible application of the approach to calculate other pharmacokinetic and biol. activities of chems. important for drug development.

Journal of Pharmaceutical Sciences published new progress about Neural network modeling. 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Recommanded Product: 4-((1H-Imidazol-1-yl)methyl)benzoic acid.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kulkarni, Surendra published the artcileNucleophilic displacements of imidazoles. II. Displacements of halogen by S-nucleophiles and displacements of mesyl groups activated by nitro; oxidation of imidazolethiols, Synthetic Route of 18874-52-7, the main research area is sulfonylimidazole; nitrothioimidazole; thionitroimidazole; substitution nucleophile halonitroimidazole thiophenol kinetics; mesylnitroimidazole nucleophile substitution; imidazolethiol preparation oxide.

RC6H4SH (R = H, p-Me) react with halonitroimidazoles I and II (R1, R2 = H, Me; R3 = Br, iodo) to give I and II (R3 = SC6H4R). The bromo compounds are slightly more reactive than the iodo analogs. Substituents at C-5 are more readily displaced than those at C-4. I and II (R3 = SO2Me) undergo nucleophilic substitution reactions with a variety of nucleophiles (e.g., PhSH, MeO-, piperidine). The imidazolethiol products are readily oxidized to the sulfones.

Australian Journal of Chemistry published new progress about Nucleophilic substitution reaction. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Synthetic Route of 18874-52-7.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Zink, Laura published the artcileLong distance-SRN1 in nitroimidazole series favored by temperature, Product Details of C4H4BrN3O2, the main research area is long distance unimol radical nucleophilic substitution reaction nitroimidazole; imidazole nitro long distance unimol radical nucleophilic substitution.

New reductive alkylating agents in 4- and 5-nitroimidazole series produce exclusively O-alkylation with nitronate anions under classical SRN1 conditions at room temperature Electron-transfer C-alkylation is observed under microwave irradiation or under conventional heating. Furthermore, X-ray spectroscopy shows that the dihedral angles between the Ph and imidazole rings for the two series are different, which could greatly influence reactivity in 4- and 5-nitroimidazole series.

Tetrahedron Letters published new progress about Radical nucleophilic substitution reaction. 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Product Details of C4H4BrN3O2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Joshi-Pangu, Amruta published the artcileDearomatization of Electron-Deficient Nitrogen Heterocycles via Cobalt-Catalyzed Asymmetric Cyclopropanation, Application In Synthesis of 67625-38-1, the main research area is dearomatization electron deficient nitrogen heterocycle cobalt catalyst stereoselective cyclopropanation.

The dearomatization of a series of electron-deficient nitrogen heterocycles has been achieved through a cobalt-catalyzed asym. cyclopropanation reaction. This reaction proceeds with high levels of enantio- and diastereoselectivity to afford unique cyclopropanes that can be further functionalized to provide complex heterocyclic building blocks.

Journal of Organic Chemistry published new progress about Cyclopropanation catalysts, stereoselective. 67625-38-1 belongs to class imidazoles-derivatives, name is Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate, and the molecular formula is C10H9ClN2O2, Application In Synthesis of 67625-38-1.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Morita, Kunihiko published the artcileOzagrel hydrochloride monohydrate, a thromboxane synthase inhibitor, and its metabolites as inhibitors of hepatic microsomal drug metabolism, Computed Properties of 94084-75-0, the main research area is ozagrel metabolite liver microsome drug metabolism.

The change in the hepatic oxidative drug-metabolizing capacity in humans treated with ozagrel hydrochloride (I; OZA), an imidazole derivative and a new thromboxane A2 synthase inhibitor, was studied and the inhibitory potencies of the metabolites of OZA (M-1 and M-2) on the mouse hepatic microsomal monooxygenase system in vitro were compared with that of OZA. In vitro, M-1 and M-2, which are the β-oxidized form and the reduced form of OZA, resp., inhibited aminopyrine N-demethylation, aniline hydroxylation and testosterone hydroxylations in mouse hepatic microsomes and produced type II difference spectra in the same manner as OZA. The kinetic data indicated that the inhibitory potencies and the affinities of these compounds for cytochrome P 450 were decreased in the order of M-2 > OZA > M-1. The ratio of 6β-hydroxycortisol to cortisol in urine, used as an indicator of oxidative drug-metabolizing capacity in humans, did not change significant during oral treatment with 400 mg/day of OZA, while the ratio decreased to 80-85% of the original level during treatment with 800 mg/d of OZA. Although the participation of the metabolites of OZA in the reduction of drug-metabolizing capacity in vivo is not yet clear, the results suggest that hepatic oxidative drug-metabolizing enzyme activities in humans are inhibited by treatment with a relatively high dose of OZA.

Chemical & Pharmaceutical Bulletin published new progress about Drug-metabolizing enzymes Role: PROC (Process). 94084-75-0 belongs to class imidazoles-derivatives, name is 4-((1H-Imidazol-1-yl)methyl)benzoic acid, and the molecular formula is C11H10N2O2, Computed Properties of 94084-75-0.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kantam, M. Lakshmi published the artcileN-Arylation of heterocycles with activated chloro- and fluoroarenes using nanocrystalline copper(II) oxide, Synthetic Route of 870837-48-2, the main research area is chloroarene heterocycle nanocrystalline copper oxide N arylation; fluoroarene heterocycle nanocrystalline copper oxide N arylation; haloarene heterocycle nanocrystalline copper oxide N arylation; aryl halide imidazole nancryst copper oxide N arylation; imidazole N aryl preparation; N arylheterocycle preparation.

Nanocrystalline copper oxide was found to be an effective heterogeneous catalyst for the N-arylation of heterocycles with activated chloro- and fluoroarenes using potassium carbonate as base. N-Arylated products, e.g., I, were isolated in good to excellent yields. The catalyst can be used for five cycles with almost consistent activity.

Advanced Synthesis & Catalysis published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 870837-48-2 belongs to class imidazoles-derivatives, name is 3-Chloro-4-(1H-imidazol-1-yl)benzaldehyde, and the molecular formula is C10H7ClN2O, Synthetic Route of 870837-48-2.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Iaroshenko, Viktor O. published the artcileTransition-Metal-Catalyzed Arylation of Nitroimidazoles and Further Transformations of Manipulable Nitro Group, Application of 5-Bromo-2-methyl-4-nitroimidazole, the main research area is palladium nickel catalyst arylation nitroimidazole aryl bromide.

Pd- or Ni-catalyzed C-H arylation of 4-nitroimidazole derivatives directed by a manipulable nitro group was developed. The reaction tolerates a wide range of substituted aryl halides and 4-nitroimidazoles. The experiments indicated that the nitro group has influence on the regioselectivity of the reaction. In addition, we have shown that the efficiency of the Suzuki-Miyaura cross-coupling reaction of nitroimidazoles is slightly lower in comparison to the direct C-H arylation. The exploration of the chem. potential of the nitro group and a putative reaction mechanism are discussed.

Journal of Organic Chemistry published new progress about Aryl bromides Role: RCT (Reactant), RACT (Reactant or Reagent). 18874-52-7 belongs to class imidazoles-derivatives, name is 5-Bromo-2-methyl-4-nitroimidazole, and the molecular formula is C4H4BrN3O2, Application of 5-Bromo-2-methyl-4-nitroimidazole.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Wu, Feng published the artcileElectrophilic Fluorination of Imidazoheterocycles by Selectfluor, Safety of Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate, the main research area is fluoro imidazoheterocycle preparation; imidazoheterocycle preparation electrophilic fluorination; ethyl bromopyruvate pyridinamine cyclization.

Response surface anal. (RSA) has been used for optimization of the synthesis using selectfluor as a fluorine source and Et imidazo[1,2-a]pyridine-2-carboxylate as a substrate. The latter has been synthesized by cyclization of Me 2-aminopyridine-3-formate with Et bromopyruvate. The optimal reaction conditions have been determined to be as follows: time 3 h, temperature 30°C and selectfluor rate 2.3 equivalent The triplicated verification experiments have led to the average yield of 87%. Four other fluorides of imidazoheterocycles I (R = H, Br; R1 = H, CHO, C(O)OMe; R2 = H, Me, Cl, F; R3 = H, ethoxycarbonyl; X = N, CH) have been synthesized under the optimized conditions.

Russian Journal of General Chemistry published new progress about Aminopyridines Role: RCT (Reactant), RACT (Reactant or Reagent). 67625-38-1 belongs to class imidazoles-derivatives, name is Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate, and the molecular formula is C10H9ClN2O2, Safety of Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem