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Quantum chemical evaluation, ELF, LOL analysis, Fukui, herbicide-likeness and molecular docking studies of 4-methyl-phenoxyacetic acid, 4-acetyl-phenoxyacetic acid and 4-tert-butyl-phenoxyacetic acid – a comparative study
The phenoxyacetic acid and its derivatives have attracted considerable attention as they have proven to be excellent bioactive herbicides. The...
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Synthesis of 4-{4-[(Alkylsulfanyl)methyl]-3,5-dimethyl-1H-pyrazole-1-carbonyl}pyridines from 3-[(Alkylsulfanyl)methyl]pentane-2,4-diones
AbstractHeterocyclization of 3-[(alkylsulfanyl)methyl]pentane-2,4-diones with isonicotinic acid hydrazide in ethanol in the presence of a catalytic...
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Synthesis and Molecular Structure of 1α-Hydroxy-13-Isopropyl-7,10A-Dimethyl-4-Oxooctadecahydro-4B,12-Methanochryseno[1,12-BC]Furan-7-Carboxylic Acid and Methyl 1β-Acetoxy-13-Acetyl-7,10A-Dimethyl-4-Oxohexadecahydro-1H-4B,12-Ethenochrysene-7-Carboxylate
AbstractNew oxy-functionalized derivatives are synthesized by ozone oxidation of 1β,13- epoxydihydroquinopimaric acid and methyl ether of...
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Synthesis of New 4-[{2′-(2H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl}(2-R-2-oxoethyl)amino]benzoic Acid Derivatives as Potent Biological Agents with Docking Studies
AbstractA series of 4-[{2′-(2 H -tetrazole-5-yl)-[1,1′-biphenyl]-4-yl}methyl)(2-R-2-oxoethyl)amino]benzoic acid derivatives was synthesized. The...
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Extraction Properties of 4-[(Hexylsulfanyl)methyl]-3,5-dimethyl-1-phenyl-1H-pyrazole in the Palladium(II) Recovery from Nitric Acid Solutions
AbstractPalladium(II) extraction from nitric acid solutions with the complex-forming reagent 4-[(hexylsulfanyl)methyl]-3,5-dimethyl-1-phenyl-1 H -pyraz...
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A selective colorimetric chemosensor for detecting Ni(II) in aqueous solutions based on 4-[{[4-(3-chlorophenyl)-1,3-thiazol-2-yl]hydrazono}methyl]phenyl 4-methyl benzene sulfonate (CTHMBS)
Among the toxic heavy metals, Ni(II) can cause a variety of side effects on human health, such as allergy, cardiovascular and kidney diseases, lung...
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Mannich Reaction Involving 6-Amino-4-methyl-2-(thio)oxo-1,2-dihydropyridine-3,5-dicarbonitriles
AbstractThe reaction of (1-ethoxyethylidene)malononitrile with cyanoacetamide or cyanothioacetamide has yielded...
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Synthesis and Properties of 4-{4-[Tris(4-octyloxyphenyl)methyl]phenoxy}phthalonitrile and Copper, Nickel, and Cobalt Phthalocyaninates on Its Basis
AbstractFor the synthesis of 4-{4-[tris(4-octyloxyphenyl)methyl]phenoxy}phthalonitrile, a method was proposed which involves O-alkylation of phenol...
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Novel Polyetherimides Based on 5-Methyl-1,3-phenylene-bis-4-oxyphthalic Acid Dianhydride: Synthesis and Physicochemical Properties
Abstract —A novel monomer for the synthesis of polyimides, 5-methyl-1,3-phenylene-bis-4-oxyphthalic acid dianhydride was developed. The synthesis was...
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Chemoselective synthesis of 4-[(alkylsulfinyl)methyl]-3,5-dimethylisoxazoles facilitated by 1,1-di(hydroperoxy)cyclohexane
Oxidation of 4-[(alkylsulfanyl)methyl]-3,5-dimethylisoxazoles with 1,1-di(hydroperoxy)-cyclohexane in benzene or ethanol under mild conditions gave...
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Comprehensive quantum chemical study of the associative complex of para-aminobenzoic acid and 7-diethylamino 4-methyl coumarin by adsorption and aromatic bridges
ContextThe present study accounts for the quantum chemical and nonlinear optical properties of the combination of para -aminobenzoic acid and...
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DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid: a potent inhibitor of Graves’ disease
A calculation analysis on the molecular structure and energy of 4-methyl-3-[2-(4-nitrophenyl)-1,3-dioxo-2,3-dihydro-1 H -isoindole-5-amido]benzoic acid...
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Nitration process of 2-(2,4-dichlorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one in a microreactor
In a continuous flow microreactor system, a continuous nitration process of...
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Synthesis and Analgesic Activity of Methyl 2-{[(2Z)-4-Aryl-2-hydroxy-4-oxobut-2-enoyl]amino}benzoates
AbstractThe reaction of methyl esters of aroylpyruvic acids with methyl 2-aminobenzoate in glacial acetic acid in the presence of anhydrous sodium...
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Synthesis and Structure of Methyl 6-Aryl-5-aroyl-4-hydroxy2-oxo(thioxo)hexahydropyrimidine-4-carboxylates
AbstractThe reaction of aroylpyruvic acids methyl esters with aromatic aldehyde and urea (thiourea) in methanol leads to the formation of methyl...
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Synthesis, Antibacterial, and Antimonooxidase Activity of 4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide
AbstractA new method for obtaining 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, an antiglaucomatous drug candidate oxazopt, was developed using a...
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Synthesis, Crystal Structure, and Antimicrobial Activity of Dialkyl [(4-Chlorophenyl)(hydroxy)methyl]phosphonates
AbstractThe Abramov reaction was used to obtain a series of dialkyl [(4-chlorophenyl)(hydroxy)methyl]phosphonates with various alkoxy substituents on...
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Synthesis of 2-[(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamides
AbstractEthyl 2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate reacted with aliphatic amines to give the corresponding acetamides,...
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Evaluation of N-Methyl-2-pyrrolidone Concentration on Synthesis and Characterization of 1% Toluene-4-Sulfonic Acid Monohydrate Doped Polyaniline Film
Polyaniline (PANI) is one of the most promising conducting polymers to be used in several applications, owing to its easily synthesized, high surface...
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Synthesis and Phosphonylation of 6-Methyl-4-aryl-2-thio-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acids Ethyl Esters
AbstractA new series of 6-methyl-4-aryl-2-thio-1,2,3,4-tetrahydropyrimidine-5-carboxylic acids ethyl esters was synthesized. The reaction of the...