Category: 99-60-5

Hlazunova, T. V.; Panasenko, O. I.; Knysh, Ye. H. published an article in 2020, the title of the article was The synthesis of 3-methyl-6-R-[1,2,4]triazolo[3,4-b]- [1,3,4]thiadiazole derivatives.Formula: C7H4ClNO4 And the article contains the following content:

Synthesis and structure conformation of 3-methyl-6-R-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives as potential biol. active compds was discussed. It was shown that the heterocyclization reaction of 4-amino-5-methyl-4H- 1,2,4-triazole-3-thiol with carboxylic acids in the excess of phosphorus oxychloride yields 3-methyl-6-R-[1,2,4]- triazolo[3,4-b][1,3,4]thiadiazoles. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Formula: C7H4ClNO4

The Article related to amino methyl triazole thiol carboxylic acid heterocyclization, methyl aryl triazolo thiadiazole preparation, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Formula: C7H4ClNO4

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

On December 31, 2019, Charitos, Georgios; Trafalis, Dimitrios T.; Dalezis, Panayiotis; Potamitis, Constantinos; Sarli, Vasiliki; Zoumpoulakis, Panagiotis; Camoutsis, Charalambos published an article.Name: 2-Chloro-4-nitrobenzoic acid The title of the article was Synthesis and anticancer activity of novel 3,6-disubstituted 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole derivatives. And the article contained the following:

A series of novel 3,6-disubstituted 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles I [R = Ph, 4-MeOC6H4CH2, PhCH:CH, Ph(CH2)3, 4-pyridinyl, etc.] has been designed, synthesized and evaluated as potential anticancer agents. The strategy of combining two chem. different but pharmacol. compatible mols. (the 1,2,4-triazole and 1,3,4-thiadiazole) in one frame has been emphasized. Several of the newly synthesized 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles I showed substantial cytostatic and cytotoxic antineoplastic activity in vitro, while they have produced relatively low acute toxicities in vivo, giving potentially high therapeutic ratios. In silico screening has revealed several protein targets including apoptotic protease-activating factor 1 (APAF1) and tyrosine-protein kinase HCK which may be involved in the biol. activities of active analogs. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Name: 2-Chloro-4-nitrobenzoic acid

The Article related to triazolothiadiazole benzyl aminosulfonyl preparation cytostatic cytotoxic antineoplastic, triazole amino mercapto condensation aromatic arylalkanoic acid, Heterocyclic Compounds (More Than One Hetero Atom): Other 5-Membered Rings, Two Or More Hetero Atoms and other aspects.Name: 2-Chloro-4-nitrobenzoic acid

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

On November 1, 2015, Maxson, Tucker; Bertke, Jeffery A.; Gray, Danielle L.; Mitchell, Douglas A. published an article.Quality Control of 2-Chloro-4-nitrobenzoic acid The title of the article was Crystal structure and absolute configuration of (3S,4aS,8aS)-N-tert-butyl-2-[(S)-3-(2-chloro-4-nitrobenzamido)-2-hydroxypropyl]decahydroisoquinoline-3-carboxamide and (3S,4aS,8aS)-N-tert-butyl-2-{(S)-2-[(S)-1-(2-chloro-4-nitrobenzoyl)pyrrolidin-2-yl]-2-hydroxyethyl}decahydroisoquinoline-3-carboxamide. And the article contained the following:

The crystal structure and absolute configuration of the two new title nelfinavir analogs, C24H35ClN4O5, (I), and C27H39ClN4O5, (II), have been determined Each of these mols. exhibits a number of disordered moieties. There are intramol. N-H·-O hydrogen bonds in both (I) and (II). In (I) it involves the two carboxamide groups, while in (II) it involves the N-tert-Bu carboxamide group and the 2-hydroxyl O atom. The intermol. hydrogen bonding in (I) (O-H-O and N-H-O) leads to two-dimensional sheets that extend parallel to the ac plane. The intermol. hydrogen bonding in (II) (O-H-O) leads to chains that extend parallel to the a axis. 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 nelfinavir analog crystal structure configuration, hiv protease inhibitor, absolute configuration, chiral crystal, crystal structure, nelfinavir, Crystallography and Liquid Crystals: Polytypism, Polymorphism, Crystal Phase Transitions, Ordering, Amorphization and other aspects.Quality Control of 2-Chloro-4-nitrobenzoic acid

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

On March 16, 2018, Yang, Shuai; Wang, Feng; Wu, Yanqi; Hua, Wenkai; Zhang, Fengzhi published an article.Synthetic Route of 99-60-5 The title of the article was Synthesis of Functionalized Triphenylenes via a Traceless Directing Group Strategy. And the article contained the following:

A ligand-free Pd-catalyzed cascade reaction between o-chlorobenzoic acids and cyclic diaryliodonium salts is reported. This one-pot procedure involves a carboxylic acid directed O-arylation followed by intramol. decarboxylative annulation affording various valuable triphenylenes, e.g., I, which can be further transformed into diversified building blocks for material chem. It was shown that an aromatic halide can react with diaryliodonium salts under the direction of carboxylic acid functionality. It was also demonstrated that the carboxylic acid could be employed as both a traceless directing group and functional handle for the atom- and step-economical one-pot double cross-coupling annulation reaction with cyclic diaryliodonium salts as the π-extending agents. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Synthetic Route of 99-60-5

The Article related to haloarylcarboxylic acid diaryliodonium arylation intramol decarboxylative annulation, triphenylene preparation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Hydrocarbons (Saturated and Unsaturated Side Chains) and other aspects.Synthetic Route of 99-60-5

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

On August 31, 2016, Jammula, Subba Rao; Anna, Venkateswara Rao; Tatina, Sudhakar; Krishna, Thalishetti; Sreenivas, B. Yogi; Pal, Manojit published an article.Safety of 2-Chloro-4-nitrobenzoic acid The title of the article was A new strategy for accessing (S)-1-(furan-2-yl)pent-4-en-1-ol: a key precursor of Ipomoeassin family of compounds and C1-C15 domain of halichondrins. And the article contained the following:

A highly efficient synthesis of (S)-1-(furan-2-yl)pent-4-en-1-ol, known to be an initial precursor of Ipomoeassin family of compounds and C1-C15 domain of halichondrins has been achieved via a sequence involving the use of Weinreb amide formation followed by Weinreb ketone synthesis and finally CBS (Corey-Bakshi-Shibata) reduction Detailed study on improvement of each step is described. The title compound was converted to a potential cytotoxic agent for further pharmacol. studies. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Safety of 2-Chloro-4-nitrobenzoic acid

The Article related to furanyl pentenol preparation weinreb ketone synthesis cbs reduction, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.Safety of 2-Chloro-4-nitrobenzoic acid

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

On January 4, 2017, Gamidi, Rama Krishna; Rasmuson, Ake. C. published an article.Category: chlorides-buliding-blocks The title of the article was Estimation of Melting Temperature of Molecular Cocrystals Using Artificial Neural Network Model. And the article contained the following:

A Quant. Structure-activity Relationship (QSAR) model has been constructed by Artificial Neural Networks (ANNs) for estimation of melting temperature (Tm) of mol. cocrystals (CCs). Based on a literature anal. using Scifinder and Cambridge Structural Database (CSD) softwares, a database has been created over CCs for four Active Pharmaceutical Ingredients (APIs), namely, i.e. caffeine (CAF), theophylline (THP), nicotinamide (NA) and isonicotinamide (INA). In total, of 61 CCs were included: 14-CAF, 9-THP, 29-INA and 9-NA. A good correlation was obtained with ANNs to quantify the Tm of the CCs with respect to various coformers (COF). The training process was completed with an average relative error of 2.38%, whereas the relative error for the validation set was 2.89%. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Category: chlorides-buliding-blocks

The Article related to estimation melting temperature mol cocrystal artificial neural network model, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Category: chlorides-buliding-blocks

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

Blaziak, Kacper; Sendys, Przemyslaw; Danikiewicz, Witold published an article in 2016, the title of the article was Experimental versus Calculated Proton Affinities for Aromatic Carboxylic Acid Anions and Related Phenide Ions.Product Details of 99-60-5 And the article contains the following content:

Herein, we present the comparison of a large set of exptl. measured proton affinity (PA) values for 65 aromatic carboxylate anions with the values calculated by using selected popular DFT (B3LYP, PBE0, and M05-2X) and composite [G3(MP2), G4(MP2)] quantum chem. methods. The root-mean-square error (RMSE) values for the chosen methods are RMSEPBE0=1.7, RMSEB3LYP=4.6, RMSEM05-2X=6.6, RMSEG3MP2=6.3, RMSEG4MP2=4.5 kJ mol-1. In the second part of the study, 82 PA values for substituted phenide ions and a few heteroaromatic anions were calculated Again, very good agreement between the calculated and exptl. values has been observed: RMSEPBE0=1.9, RMSEB3LYP=4.5, RMSEM05-2X=6.3, RMSEG3MP2=4.9, RMSEG4MP2=5.5 kJ mol-1. Our results show that, for medium-sized carboxylate anions, all tested methods give reliable results and, surprisingly, much more computationally demanding composite methods do not perform significantly better than the time-efficient DFT methods. 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 aromatic carboxylate phenide proton affinity pbe1pbe m05 b3lyp mp2, carboxylate anions, density functional calculations, phenide ions, proton affinity, quantum chemistry, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Product Details of 99-60-5

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

Kumar, Ramar Mohan; Ruckmani, Kandasamy published an article in 2019, the title of the article was Investigations on physiochemical and third-order nonlinear optical studies on quinolinium based organic crystal.Reference of 2-Chloro-4-nitrobenzoic acid And the article contains the following content:

Newly identified organic single crystals of 8-hydroyquinolinium 2-chloro 4-nitrobenzoate (HQ2ClNB) were grown by the slow evaporation solution growth technique (SEST) using methanol as a solvent. It crystallizes in monoclinic crystal system with a space group of P21/c. Crystalline nature and phases were confirmed by powder X-ray diffraction (XRD). The existence of various functional groups in the mol. was identified using the Fourier transform IR (FTIR) and NMR (NMR) technique. Optical transmission window and lower cut-off wavelength of the HQ2ClNB crystal have been evaluated by UV-Visible-NIR studies. Dielec. and photoconductivity studies were recorded. Third-order nonlinear optical susceptibility (χ(3)) of the crystals were evaluated by Z-scan studies. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Reference of 2-Chloro-4-nitrobenzoic acid

The Article related to hydroyquinolinium chloronitrobenzoate photoconductivity crystallinity ftir spectrum, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Lasers and Masers, Nonlinear Optical Properties and other aspects.Reference of 2-Chloro-4-nitrobenzoic acid

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

Ma, Hongpeng; Bai, Chaolumen; Bao, Yong-Sheng published an article in 2019, the title of the article was Heterogeneous Suzuki-Miyaura coupling of heteroaryl ester via chemoselective C(acyl)-O bond activation.COA of Formula: C7H4ClNO4 And the article contains the following content:

A site-selective supported palladium nanoparticle catalyzed Suzuki-Miyaura cross-coupling reaction with heteroaryl esters RC(O)OR1 (R = naphthalen-1-yl, furan-2-yl, 1H-indol-2-yl, etc.; R1 = pyridin-2-yl, pyrazin-2-yl, 4-methylquinolin-2-yl, etc.) and arylboronic acids R2B(OH)2 (R2 = Ph, 2H-1,3-benzodioxol-5-yl, 4-phenoxyphenyl, etc.) as coupling partners was developed. This methodol. provides a heterogeneous catalytic route for aryl ketones RC(O)R2 formation via C(acyl)-O bond activation of esters by successful suppression of the undesired decarbonylation phenomenon. The catalyst can be reused and shows high activity after eight cycles. The XPS anal. of the catalyst before and after the reaction suggested that the reaction might be performed via a Pd0/PdII catalytic cycle that began with Pd0. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).COA of Formula: C7H4ClNO4

The Article related to diaryl ketone preparation chemoselective, arylboronic acid heteroaryl ester suzuki miyaura palladium nanocatalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ketones and Derivatives, Including Quinones and Sulfur Analogs and other aspects.COA of Formula: C7H4ClNO4

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

On January 31, 2015, Liu, Hong-Qiang; Liu, Jun; Zhang, Yang-Hui; Shao, Chang-Dong; Yu, Jing-Xun published an article.Quality Control of 2-Chloro-4-nitrobenzoic acid The title of the article was Copper-catalyzed amide bond formation from formamides and carboxylic acids. And the article contained the following:

A highly efficient copper-catalyzed approach to form amide bonds from formamides and carboxylic acids was developed. This protocol shows broad substrate scopes and high yields in the presence of 1 mol% catalyst and 4.0 equivalent formamides. 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 carboxylic acid formamide amidation copper, amide preparation, copper amidation catalyst, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Amides, Amidines, Imidic Esters, Hydrazides, and Hydrazonic Esters and other aspects.Quality Control of 2-Chloro-4-nitrobenzoic acid

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