Search results for "Reaction"

showing 10 items of 6134 documents

Experimental and theoretical DFT study of the reaction of 3-amino-1,2-diols with dichloromethane and paraformaldehyde

2004

Abstract The reactions of 3-phenyl-3-methylamino-1,2-propanediol 1a and 3-[(tert-butyldimethylsilyl)oxy]-1-methylamino-1-phenyl-2-propanol 1b with (CH2O)n and CH2Cl2 are appropriate procedures for the preparation of 1,3-oxazines or 1,3-oxazolidines under proper selection of kinetic or thermodynamic reaction conditions. The reaction of 1b with (CH2O)n or CH2Cl2, affords the oxazolidine 2b under kinetic conditions and then this compound can be slowly converted into 5-[(tert-butyldimethylsilyl)oxy]-3-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-1,3-oxazine 3b under thermodynamic control. The mechanism proposed for this transformation and the effect of polar solvents on the acceleration of the reactio…

Reaction conditionschemistry.chemical_compoundOxazolidinechemistryComputational chemistryOrganic ChemistryDrug DiscoveryOrganic chemistryParaformaldehydeKinetic energyBiochemistryDichloromethaneTetrahedron
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Ribulose-1,5-bisphosphate Carboxylase-Oxygenase: New Aspects Respective the pH-Dependance of the Carboxylation Reaction

1983

The investigation was directed towards the effects of reaction conditions, substrates and pH on the carboxylation reaction of ribulose-1 ,5-bisphosphate carboxylase-oxygenase in the crude enzyme extracts from several plants. Optimal substrate concentrations (HCO3 - and RubP) were determined. The highest carboxylase activity was attained with Tris/HCl buffer. The pH activity profile was quite sharp with an optimum at pH 7.8. Purified and crystallized carboxylase yielded a broad optimum curve under the same reaction conditions

Reaction conditionschemistry.chemical_compoundOxygenaseRibulose 15-bisphosphateCarboxylationchemistryBiochemistryGeneral Biochemistry Genetics and Molecular BiologyPyruvate carboxylaseZeitschrift für Naturforschung C
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Reactivity of β-amino alcohols against dialkyl oxalate: synthesis and mechanism study in the formation of substituted oxalamide and/or morpholine-2,3…

2012

The reactivity of various β-amino alcohols with dialkyl oxalates, in several reaction conditions, has been investigated. Linear disubstituted oxalamides were obtained with primary β-amino alcohols and linear tetrasubstituted oxalamides, or a mixture of linear tetrasubstituted oxalamides and cyclic morpholine-2,3-diones were obtained with N-substituted β-amino alcohols. A DFT study of the possible mechanism has been made. The theoretical results indicate that these reactions are not kinetically controlled, there is an equilibrium between all species and therefore follow a thermodynamic control. The different behavior between the primary β-amino alcohols and N-methyl β-amino alcohols is due t…

Reaction conditionschemistry.chemical_compoundPrimary (chemistry)ChemistryMorpholineOrganic ChemistryDrug DiscoveryPolymer chemistryOxalate synthesisReactivity (chemistry)BiochemistryMedicinal chemistryTetrahedron
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Three-Component Synthesis of α-Aminoperoxides Using Primary and Secondary Dialkylzinc Reagents with O2 and α-Amido Sulfones

2020

A straightforward strategy for the synthesis of unprecedented α-aminoperoxides bearing primary and secondary alkylperoxide substituents is described. Commercially available dialkylzinc reagents are oxidized with molecular oxygen and the consequent peroxide species react with stable (hetero)­aromatic and aliphatic α-amido sulfones in excellent yields (>90%). The now available α-aminoperoxides are of potential interest in medicinal chemistry, specifically for the synthesis of antimalarial compounds. Moreover, modification of the reaction conditions selectively leads to N,O-acetals in good yields.

Reaction conditionschemistry.chemical_compoundPrimary (chemistry)chemistryComponent (thermodynamics)Yield (chemistry)ReagentOrganic ChemistryMolecular oxygenPhysical and Theoretical ChemistryBiochemistryCombinatorial chemistryPeroxideOrganic Letters
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Reactions of 3-vinylindole derivatives with dienophiles

1991

Reactions of 3-(1-cyclohexenyl)-1,2-dimethylindole (1a) and the 1,2-dihydrocarbazole 1b with some carbo- and heterodienophiles are described. Thus, compound 1a reacts to give ene, Michael-type, and Diels-Alder adducts, depending on the dienophile and reaction conditions. The 3-vinylindole 1b reacts with 4-phenyl-1,2,4-triazoline-3,5-dione or N-phenylmaleimide in a dehydrogenative reaction to yield the fully aromatized carbazole 8.

Reaction conditionschemistry.chemical_compoundchemistryBicyclic moleculeCarbazoleYield (chemistry)Organic ChemistryMichael reactionPhysical and Theoretical ChemistryMedicinal chemistryEne reactionAdductLiebigs Annalen der Chemie
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Reactivity difference between diphosgene and phosgene in reaction with (2,3-anti)-3-amino-1,2-diols

2006

In reactions of (2,3-anti)-3-amino-1,2-diols with diphosgene and phosgene and their conversion into 1,3-oxazolidin-2-ones, some differences in the stereochemistry of the reactions have been found with these two reagents. The reactions with phosgene afforded the expected cis-oxazolidinones, and in the reaction with diphosgene under the same reaction conditions, the trans-oxazolidinones were also obtained.

Reaction conditionschemistry.chemical_compoundchemistryReagentOrganic ChemistryDrug DiscoveryDiphosgeneOrganic chemistryReactivity (chemistry)PhosgeneBiochemistryTetrahedron
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ChemInform Abstract: Reductive Cleavage of 2,2,2-Trichloroethyl Esters with Sodium Telluride.

2010

Abstract Carboxylic acids are regenerated from their 2,2,2-trichloroethyl esters by treatment with sodium telluride in dimethylformamide in smooth conditions and with good yields. The reaction conditions are compatible with other functional and protective groups such as methyl ester, acetate or tert-butyldimethylsilyl ethers.

Reaction conditionschemistry.chemical_compoundchemistryReductive cleavagePolymer chemistrySodium tellurideDimethylformamideGeneral MedicineChemInform
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Electrifying Organic Synthesis

2018

Abstract The direct synthetic organic use of electricity is currently experiencing a renaissance. More synthetically oriented laboratories working in this area are exploiting both novel and more traditional concepts, paving the way to broader applications of this niche technology. As only electrons serve as reagents, the generation of reagent waste is efficiently avoided. Moreover, stoichiometric reagents can be regenerated and allow a transformation to be conducted in an electrocatalytic fashion. However, the application of electroorganic transformations is more than minimizing the waste footprint, it rather gives rise to inherently safe processes, reduces the number of steps of many synth…

Reaction conditionsoxidation010405 organic chemistrybusiness.industryComputer scienceReviewsThe RenaissancereductionReviewGeneral Chemistry010402 general chemistry01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundTerminal (electronics)chemistryElectrochemistrysynthetic methodssustainable chemistryOrganic synthesisBiochemical engineeringElectricitybusinessRenewable resourceAngewandte Chemie International Edition
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Time and Temperature Dependence of Macro-ion-Macro-ester Equilibrium in the Cationic Polymerization of Tetrahydrofuran by HOSO2F

1977

Abstract Reactivity and equilibrium of two active species-tertiary oxonium ion (TOI) and superacid ester (SAE)-in the system of cationic polymerization of tetrahydrofuran (THF) initiated by fluorosulfonic acid (FSO3H) in dichloromethame has been studied. In the given system, it was found that TOI is mainly responsible for the polymerization at the initial stage; however, the cocentration of TOI decreases rapidly with the progress of polymerization and finally becomes almost untraceable. On the other hand, [SAE] monotonically increases as the polymerization proceeds. The stability of TOI appears less than that of SAE under the given reaction conditions. Results demonstrate that both the prog…

Reaction conditionstechnology industry and agricultureGeneral EngineeringCationic polymerizationmacromolecular substancesPhotochemistryIonchemistry.chemical_compoundchemistryPolymerizationparasitic diseasesPolymer chemistryReactivity (chemistry)SuperacidOxonium ionTetrahydrofuranJournal of Macromolecular Science: Part A - Chemistry
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Understanding the [2n+2n] reaction mechanism between a carbenoid intermediate and CO2

2016

ABSTRACTThe mechanism of the cycloaddition reaction of CO2 with a nucleophilic carbenoid intermediate has been theoretically studied by using the bonding evolution theory (BET) at the B3LYP/6-31G(d) level of theory. BET combines topological analysis of the electron localisation function and catastrophe theory along a reaction path. This cycloaddition reaction is characterised by 16 structural stability domains, associated to the following sequence of catastrophes: C8H9NO4 + CO2: 16-CF†CF†F†CFF†C†C†[FF†]F†FCC†-0: C9H9NO6. Formation of the two new C-C and C-O single bonds evolves after the transition state structure is reached. The high nucleophilic character and the electronic structure of c…

Reaction mechanism010405 organic chemistryChemistryBiophysics010402 general chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciencesCycloaddition0104 chemical sciencesNucleophileComputational chemistry13-Dipolar cycloadditionMoleculeSingle bondPhysical and Theoretical ChemistryMolecular BiologyCarbenoidMolecular Physics
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