Category: 99-60-5

Jamatia, Ramen; Gupta, Ajay; Pal, Amarta Kumar published an article in 2016, the title of the article was Superparamagnetic Copper Ferrite Nanoparticles Catalyzed One Step Regioselective Synthesis of Dibenzodiazepinones via Ligand and Base Free Ullmann Type Coupling Reaction.Product Details of 99-60-5 And the article contains the following content:

CuFe2O4 superparamagnetic nanoparticles were used as an efficient heterogeneous catalyst for the one-step synthesis of dibenzodiazepinones via Ullmann type coupling reaction. The catalyst was highly stable, efficient and easily synthesized from readily available starting materials. The prepared CuFe2O4 NPs were characterized using various characterization techniques such as TEM, SEM, EDX, XRD, VSM, XPS and FT-IR anal. The thermal stability of the catalyst was also examined by TGA anal. The present methodol. eliminated the multistep procedure for the synthesis of the said compounds The catalyst efficiently catalyzed the reaction under milder condition furnishing high yield of the product within a short reaction time with higher regioselectivity. Furthermore, the CuFe2O4 super paramagnetic nanoparticles were easily separated by an external magnet and reused for four consecutive runs. The present protocol was devoid of any base or ligands and showed excellent result for reproducibility and gram scale reaction which addressing the issues of sustainability and environment friendliness. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Product Details of 99-60-5

The Article related to copper ferrite nanoparticle catalyst preparation, dibenzodiazepinone preparation green chem, chlorobenzoic acid phenylenediamine copper ferrite catalyst regioselective ullmann coupling and other aspects.Product Details of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Hossian, Asik; Jana, Ranjan published an article in 2016, the title of the article was Carboxyl radical-assisted 1,5-aryl migration through Smiles rearrangement.Quality Control of 2-Chloro-4-nitrobenzoic acid And the article contains the following content:

We report herein, a silver(I)-catalyzed Smiles rearrangement of 2-aryloxy- or 2-(arylthio)benzoic acids to provide aryl-2-hydroxybenzoate or aryl-2-mercaptobenzoate dimer, resp., through 1,5-aryl migration from oxygen or sulfur to carboxylate oxygen. Mechanistically, the aryl ether moiety undergoes an intramol. ipso attack by the carboxyl radical followed by a C-O or C-S bond cleavage. Aryl-2-mercaptobenzoates undergo oxidative dimerization through a thiol moiety in situ. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Quality Control of 2-Chloro-4-nitrobenzoic acid

The Article related to carboxy radical aryl migration smiles rearrangement, aryloxybenzoic arylthiobenzoic acid silver catalyst smiles rearrangement, arylhydroxybenzoate arylmercaptobenzoate dimer preparation and other aspects.Quality Control of 2-Chloro-4-nitrobenzoic acid

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On August 31, 2021, Khokra, Sukhbir Lal; Kaur, Simranjeet; Banwala, Sahil; Wadhwa, Karan; Husain, Asif published an article.Product Details of 99-60-5 The title of the article was Synthesis, Molecular Docking, and Biological Evaluation of Some Novel 2- (5-Substituted 1,3,4-oxadiazole-2-yl)-1,3-benzothiazole Derivatives as Anticonvulsant Agents. And the article contained the following:

Benzothiazole is an organosulfur heterocyclic compound that has a considerable place in drug discovery due to significant pharmacol. actions. The main objective of the present study was to synthesize some novel 2-(5-substituted 1,3,4-oxadiazole-2-yl)-1,3-benzothiazole derivatives and evaluate them for their anticonvulsant activity using in silico and in vivo methods. A set of sixteen 2-(5-substituted 1, 3, 4-oxadiazole-2-yl)-1, 3-benzothiazole derivatives were prepared using multi-step reactions starting from o-amino-thiophenol and characterized by suitable spectral techniques. The synthesized compounds were evaluated for anticonvulsant activity using in silico and in vivo methods. In silico mol. docking study was performed using Molegro Virtual Docker software to analyze binding modes of compounds with the internal ligand of PDB ID: 1OHY and 1OHV; and in vivo pharmacol. activities were tested for both generalized tonic-clonic seizures and generalized absence (petit mal) seizures using Maximal Elec. Shock and PTZ-induced seizure models, resp. Some new 2-(5-substituted-1,3,4-oxadiazole-2-yl)-1,3- benzothiazole (5a-5p) were successfully synthesized by finally refluxing 1, 3-benzothiazole-2-carboxyhydrazide with different aromatic acids in phosphoryl chloride. Docking results showed that compounds 5c, 5j, and 5m were found to have the highest number of H-bond interactions; i.e. 4, 4, and 7 resp. with target proteins 1OHY and 6, 3, and 4 resp. with target protein 1OHV, whereas phenytoin showed only two H-bonding with both proteins. In the Maximal electroshock seizure method, the synthesized compounds 5h, 5k and 5o demonstrated potent anticonvulsant activity against the tonic seizure with a significant decrease in tonic hind leg extension period with a mean duration of 7.9, 7.4, and 7.0 s resp., as compared to the other synthesized compounds In contrast, in the PTZ-induced seizure model, compounds 5c, 5h, and 5m showed protection against clonic convulsion with significant elevation in the onset time of clonic convulsion at 311.2, 308.0, and 333.11 s, resp. Thus, from the results, it can be concluded that compound 5h, a benzothiazole derivative endowed with an oxadiazole ring, can be developed as a potential anticonvulsant agent. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Product Details of 99-60-5

The Article related to oxadiazole benzothiazole derivative anticonvulsant agent mol docking, benzothiazole-based oxadiazoles derivatives, anticonvulsant agents, molecular docking, phenytoin, spectroscopy., synthesis and other aspects.Product Details of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Thakal, Samridhi; Singh, Amit; Singh, Vikramjeet published an article in 2022, the title of the article was In vitro and in silico evaluation of N-(alkyl/aryl)-2-chloro-4-nitro-5- [(4-nitrophenyl)sulfamoyl]benzamide derivatives for antidiabetic potential using docking and molecular dynamic simulations.Application In Synthesis of 2-Chloro-4-nitrobenzoic acid And the article contains the following content:

Synthesis of N-(alkyl/aryl)-2-chloro-4-nitro-5-[(4-nitrophenyl)sulfamoyl]benzamide derivativesI(R = n-Pr, Ph, furan-2-ylmethyl, etc.) was synthesized and evaluated for its in vitro antidiabetic potential against α-glucosidase and α-amylase enzymes and also for its antimicrobial potential. Compounds I (R = 2-methyl-4-nitrophenyl, 2-methyl-5-nitrophenyl, (III)) were found to be the most potent α-glucosidase and α-amylase inhibitors with IC50 values of 10.13 and 1.52μM, resp. The docking results depicted reasonable dock score -10.2 to -8.0 kcal/mol (α-glucosidase), -11.1 to -8.3 kcal/mol (α-amylase) and binding interactions of synthesized mols. with resp. targets with enzymes. During mol. dynamic simulations, anal. of RMSD of ligand protein complex suggested stability of the most active compound at binding site of target proteins. Compound I (R = 2-chloro-4-nitrophenyl) showed antibacterial potential against Gram pos. and Gram neg. bacteria and compound (III) showed excellent antifungal potential against Candida albicans and Aspergillus niger. The computational studies were also executed to predict the drug-likeness and ADMET properties of the title compounds The I showed significant antidiabetic and antimicrobial potential which is equally supported by the mol. dynamic and docking studies. This study will prove useful in revealing the mol. structure and receptor target site details which can be further utilized for the development of newer active antidiabetic and antimicrobial agents. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Application In Synthesis of 2-Chloro-4-nitrobenzoic acid

The Article related to chloronitro nitrophenylsulfamoyl benzamide preparation docking antidiabetic antifungal antibacterial activity, antimicrobial activity, in silico admet, molecular modeling, α-glucosidase, α-amylase and other aspects.Application In Synthesis of 2-Chloro-4-nitrobenzoic acid

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On February 15, 2018, Kaur, Avneet; Pathak, Dharam P.; Sharma, Vidushi; Wakode, Sharad published an article.Related Products of 99-60-5 The title of the article was Synthesis, biological evaluation and docking study of a new series of di-substituted benzoxazole derivatives as selective COX-2 inhibitors and anti-inflammatory agents. And the article contained the following:

A new series of substituted-N-(3,4-dimethoxyphenyl)-benzoxazole derivatives 13a-13p was synthesized and evaluated in vitro for their COX (I and II) inhibitory activity, in vivo anti-inflammatory and ulcerogenic potential. Compounds 13d, 13h, 13k, 13l and 13n exhibited significant COX-2 inhibitory activity and selectivity towards COX-2 over COX-1. These selected compounds were screened for their in vivo anti-inflammatory activity by carrageenan induced rat paw edema method. Among these compounds, 13d (2-chloro-N-(2-(3,4-dimethoxyphenyl)benzoxazol-5-yl)benzamide) was the most promising analogs of the series with percent inhibition of 84.09 and IC50 value of 0.04 μM and 1.02 μM (COX-2 and COX-1) resp. Furthermore, ulcerogenic study was performed and tested compounds (13d, 13h, 13k, 13l) demonstrated a significant gastric tolerance than ibuprofen. Mol. docking study was also performed with resolved crystal structure of COX-2 to understand the binding mechanisms of newly synthesized inhibitors in the active site of COX-2 enzyme and the results were found to be concordant with the biol. evaluation studies of the compounds These newly synthesized inhibitors also showed acceptable pharmacokinetic profile in the in silico ADME/T analyses. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Related Products of 99-60-5

The Article related to benzoxazole derivative preparation cyclooxygenase cox2 inhibitor antiinflammatory ulcer, anti-inflammatory activity, benzoxazole derivatives, selective cox-2 inhibitors, ulcerogenic liability and other aspects.Related Products of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Crisan, Manuela; Halip, Liliana; Bourosh, Paulina; Chicu, Sergiu Adrian; Chumakov, Yurii published an article in 2017, the title of the article was Synthesis, structure and toxicity evaluation of ethanolamine nitro/chloronitrobenzoates: a combined experimental and theoretical study.COA of Formula: C7H4ClNO4 And the article contains the following content:

Background: Nitroarom. and chloronitroarom. compounds have been a subject of great interest in industry and recently in medical-pharmaceutic field. 2-Chloro-4-nitro/2-chloro-5-nitrobenzoic acids and 4-nitrobenzoic acid are promising new agents for the treatment of main infectious killing diseases in the world: immunodeficiency diseases and tuberculosis. Results: New ethanolamine nitro/chloronitrobenzoates were synthesized and characterized by X-ray crystallog., UV-vis, FT-IR and elementary anal. techniques. The toxicity of the compounds prepared and correspondent components was evaluated using Hydractinia echinata as test system. A significant lower toxicity was observed for nitroderivative compared with chloronitro-derivatives and individual components. Crystallog. studies, together with the chem. reactivity and stability profiles resulted from d. functional theory and ab initio MO calculations, explain the particular behavior of ethanolamine 4-nitrobenzoate in biol. test. Conclusions: The exptl. and theor. data reveal the potential of these compounds to contribute to the design of new active pharmaceutical ingredients with lower toxicity. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).COA of Formula: C7H4ClNO4

The Article related to ethanolamine nitro chloronitrobenzoate synthesis structure toxicity, chemical reactivity, nitrobenzoic and chloronitrobenzoic acids and derivatives, single crystal x-ray diffraction, toxicity and other aspects.COA of Formula: C7H4ClNO4

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Minghao; Hoover, Jessica M. published an article in 2016, the title of the article was Aerobic copper-catalyzed decarboxylative thiolation.HPLC of Formula: 99-60-5 And the article contains the following content:

Copper-catalyzed decarboxylative thiolation using mol. oxygen as the sole oxidant was developed. A variety of aromatic carboxylic acids including 2-nitrobenzoic acids, pentafluorobenzoic acid and several heteroaromatic carboxylic acids undergo efficient thiolation to furnish the aryl sulfides in moderate to excellent yields. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).HPLC of Formula: 99-60-5

The Article related to aryl sulfide selenide synthesis solvent effect, aromatic carboxylic acid decarboxylative thiolation selenation coupling copper catalyst, nitrobenzoic pentafluorobenzoic heteroaromatic carboxylic acid and other aspects.HPLC of Formula: 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On August 1, 2020, Lemmerer, Andreas published an article.SDS of cas: 99-60-5 The title of the article was The 2-Chloro-4-nitrobenzoic acid as a coformer with pharmaceutical cocrystals and molecular salts. And the article contained the following:

A series of five binary complexes, i.e. three cocrystals and two mol. salts, using 2-chloro-4-nitrobenzoic acid as a coformer have been produced with five commonly available compounds, some of pharmaceutical relevance, namely, 2-chloro-4-nitrobenzoic acid-isonicotinamide (1/1), C7H4ClNO4·C6H6N2O, 2-chloro-4-nitrobenzoic acid-3,3-diethylpyridine-2,4(1H,3H)-dione (2/1), 2C7H4ClNO4·C9H13NO2, 2-chloro-4-nitrobenzoic acid-pyrrolidin-2-one (1/1), C7H4ClNO4·C4H7NO, 2-carboxypiperidinium 2-chloro-4-nitrobenzoate, C6H12NO2-·C7H3ClNO4-, and (2-hydroxyethyl)ammonium 2-chloro-4-nitrobenzoate, C2H8NO+·C7H3ClNO4-. The coformer falls under the classification of a generally regarded as safe compound All five complexes make use of a number of different heteromeric hydrogen-bonded interactions. Intermol. potentials were evaluated using the CSD-Materials module. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).SDS of cas: 99-60-5

The Article related to chloro nitrobenzoic acid coformer pharmaceutical cocrystal mol salt, uni force fields, chloronitrobenzoic acid, cocrystal, crystal structure, isonicotinamide, molecular salt, piperidinium, pyrrolidine and other aspects.SDS of cas: 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On July 15, 2017, Fang, Zhen; Wang, Tian-qi; Li, Hui; Zhang, Guo; Wu, Xiao-ai; Yang, Li; Peng, Yu-lan; Zou, Jun; Li, Lin-li; Xiang, Rong; Yang, Sheng-yong published an article.Application of 99-60-5 The title of the article was Discovery of pyrazolo[1,5-a]pyrimidine-3-carbonitrile derivatives as a new class of histone lysine demethylase 4D (KDM4D) inhibitors. And the article contained the following:

Herein the authors report the discovery of a series of new small mol. inhibitors of histone lysine demethylase 4D (KDM4D). Mol. docking was first performed to screen for new KDM4D inhibitors from various chem. databases. Two hit compounds were retrieved. Further structural optimization and structure-activity relation (SAR) anal. were carried out to the more selective one, compound 5-hydroxy-9-nitropyrazolo[1,5-a]quinazoline-3-carbonitrile, which led to the discovery of several new KDM4D inhibitors. Among them, compound 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile is the most potent one with an IC50 value of 0.41 ± 0.03 μM against KDM4D. Overall, compound 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile could be taken as a good lead compound for further studies. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Application of 99-60-5

The Article related to pyrazolopyrimidinecarbonitrile derivative preparation histone lysine demethylase 4d inhibitor, epigenetics, histone lysine demethylase, kdm4d, small molecule inhibitor, structure-activity relationship and other aspects.Application of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On February 27, 2015, Stoll, Dwight R.; O’Neill, Kelly; Harmes, David C. published an article.Application of 99-60-5 The title of the article was Effects of pH mismatch between the two dimensions of reversed-phase × reversed-phase two-dimensional separations on second dimension separation quality for ionogenic compounds-I. Carboxylic acids. And the article contained the following:

Two persistent impediments to wider adoption of two-dimensional liquid chromatog. (2-dimensional-LC) are the perceptions that 2-dimensional methods are generally less sensitive than 1-dimensional ones, and that coupling of certain separation modes in a 2-dimensional system is difficult because of the neg. impact of the effluent of the 1st separation on the 2nd separation The authors address these problems in the specific case where reversed-phase separations were used in both dimensions of a 2-dimensional-LC system, but the pH is varied such that the ionization state of carboxylic acid analytes is different (i.e., neutral or neg. charged, in eluents buffered at pH 2 or 7) in the two columns. The authors 1st demonstrate that the effect of 1st dimension (1D) effluent on the performance of 2nd dimension (2D) separation of ionogenic solutes is much more serious than it is for neutral compounds where the pH of the eluent does not play a role in retention. The authors have systematically varied the properties of the sample solution injected into the 2D column (i.e., the 1D effluent), as well as the 2D eluent, with the goal of establishing guidelines for conditions that yield acceptable 2D performance. The organic solvent content of the 1D effluent and 2D eluent is not as important as the buffer concentrations in these two solutions, and the greater the ratio of buffer concentration in the 1D effluent relative to the 2D eluent, the smaller the volume one can inject into the 2D column before dramatic peak splitting occurs. The authors have then used the information from these simple experiments to guide both 1-dimensional experiments that mimic the 2D separation, and actual 2-dimensional separations, to demonstrate that online adjustment of the properties of the 1D effluent by dilution with a buffered solvent prior to injection into the 2D column is a very effective solution to the pH mismatch problem. When the buffer capacity of the diluent is high enough to effectively titrate the 1D effluent such that its pH approaches that of the 2D eluent, excellent 2D peak shape was obtained for the carboxylic acid analytes, even when the volume of injected sample solution exceeds the 2D column volume The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Application of 99-60-5

The Article related to ph mismatch 2d reversed phase liquid chromatog, carboxylic acid second dimension separation 2d lc, carboxylic acids, detection sensitivity, solvent mismatch, two-dimensional, volume overload, ph effects and other aspects.Application of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics