Search results for "Sigmatropic reaction"

showing 10 items of 15 documents

Recent Advances in Asymmetric [3,3]-SigmatropicRearrangements

2003

The synthesis of new complex structures is still a challenge in preparative organic chemistry. Focusing on the generation of defined stereogenic centers, the [3,3]-sigmatropic rearrangements are known as reliable reactions. Always, a highly ordered transition state must be passed through, which allows the shift of chiral information from the reactant into the nascent product. Generally, the complete [1,3]- and, frequently, the [1,4]-chirality transfer enables one to predict the configuration of the new centers. This review focuses on Claisen and Cope rearrangements, which adopt the chiral information via a so termed asymmetric induction. This means, that the directing chiral subunit is plac…

Chiral auxiliarychemistry.chemical_compoundchemistryComputational chemistryProduct (mathematics)Organic ChemistryEnantioselective synthesisSigmatropic reactionAsymmetric inductionCatalysisStereocenterCope rearrangementSynthesis
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Structure Effect of Imidazolium-Based Dicationic Ionic Liquids on Claisen Rearrangement

2014

A large group of imidazolium-based dicationic ionic liquids (DILs) has been prepared in good yields. Thermal stability of all DILs has been determined. The effects of the reaction time, cation, imidazolium C2–H acidity, and anion on the Claisen rearrangement of allyl phenyl ether have been investigated. Type of anion and the presence of the acidic C2–H bond in the imidazolium moieties have proven to be essential for this reaction. The simple procedure and the possibility of avoiding the use catalysts and volatile organic solvents make this synthetic method environmentally benign and adaptable for large-scale applications.

Claisen rearrangementchemistry.chemical_compoundchemistryOrganic ChemistryIonic liquidOrganic chemistryEtherThermal stabilitySigmatropic reactionLarge groupCatalysisIon
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Recent Advances in Asymmetric [3,3]-Sigmatropic Rearrangements.

2003

The synthesis of new complex structures is still a challenge in preparative organic chemistry. Focusing on the generation of defined stereogenic centers, the [3,3]-sigmatropic rearrangements are known as reliable reactions. Always, a highly ordered transition state must be passed through, which allows the shift of chiral information from the reactant into the nascent product. Generally, the complete [1,3]- and, frequently, the [1,4]-chirality transfer enables one to predict the configuration of the new centers. This review focuses on Claisen and Cope rearrangements, which adopt the chiral information via a so termed asymmetric induction. This means, that the directing chiral subunit is plac…

Computational chemistryChemistryStereochemistryProduct (mathematics)Enantioselective synthesisGeneral MedicineSigmatropic reactionAsymmetric inductionCope rearrangementStereocenterChemInform
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Lewis acid-catalyzed Beckmann rearrangement of ketoximes in ionic liquids

2009

Abstract The Beckmann rearrangement of five ketoximes was done in 17 different ionic liquids by using four Lewis acids. The effect of the type of cation and the type of anion in the ionic liquid on the rate of the rearrangement reaction and product composition is compared and discussed. The effects of the hydrophobicity and the hydrogen bonding ability of ionic liquids on the rearrangement of ketoximes were investigated, as well as the catalytical activity of the Lewis acids.

Hydrogen bondProcess Chemistry and TechnologyGeneral ChemistrySigmatropic reactionCatalysisIonCatalysischemistry.chemical_compoundchemistryBeckmann rearrangementIonic liquidPolymer chemistryOrganic chemistryRearrangement reactionLewis acids and basesCatalysis Communications
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A DFT study of the polar Diels–Alder reaction between 4-aza-6-nitrobenzofuroxan and cyclopentadiene

2005

Abstract The polar Diels–Alder reaction between 4-aza-6-nitrobenzofuroxan (ANBF) and cyclopentadiene has been studied using DFT procedures at the B3LYP/6-31G* level. Only one highly asynchronous transition state structure associated to the formation of the [4+2] adduct 13 is found. A further [3,3] sigmatropic shift on the [4+2] cycloadduct 13 allows its conversion into the thermodynamically more stable [2+4] cycloadduct 14 . The analysis of the global and local electrophilicities of the reagents correctly explain the behaviour of ANBF as a strong electrophile in polar cycloadditions.

Reaction mechanismCyclopentadieneChemistryOrganic ChemistrySigmatropic reactionBiochemistryAdductchemistry.chemical_compoundComputational chemistryReagentDrug DiscoveryElectrophilePolarDiels–Alder reactionTetrahedron
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Non-degenerate 1,2-silyl shift in silyl substituted alkyltrimethylcyclopentadienes

2005

Abstract The five new silanes C5Me3RSiMenCl3 − n (n = 3, R = i-Pr (5); n = 2, R = i-Pr (6); n = 2, R = s-Bu (7); n = 2, R = cyclohexyl (8); and n = 3, R = t-Bu (9)) were synthesized by reaction of 1-alkyl-2,3,4-trimethylcyclopentadienyl lithium salts with appropriate chlorosilane and characterized by NMR, MS, and IR spectra. At elevated temperatures (250–360 K), all the silanes undergo a non-degenerate sigmatropic silyl rearrangement, which generates non-equivalent structures a and b. The presence of minor structure c was observed in compounds 5 and 7 only. The Diels–Alder cycloaddition of 5 with strong dienophiles tetracyanoethylene (TCNE), and dimethylacetylenedicarboxylate (DMAD) provide…

SilanesSilylationStereochemistryOrganic ChemistryTetracyanoethyleneSigmatropic reactionBiochemistryMedicinal chemistryCycloadditionInorganic ChemistryNMR spectra databasechemistry.chemical_compoundchemistryMaterials ChemistryPhysical and Theoretical ChemistryIsomerizationChlorosilaneJournal of Organometallic Chemistry
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A new palladium(II)-catalyzed [3,3] aza-Claisen rearrangement of 3-allyloxy-5-aryl-1,2,4-oxadiazoles

2011

Abstract A new efficient palladium(II)-catalyzed [3,3] aza-Claisen, formal sigmatropic rearrangement of 3-allyloxy-5-aryl-1,2,4-oxadiazoles was developed. The mechanism was studied by analyzing the regiochemical and stereochemical course of the reaction. The results obtained indicated the intervention of a cationic pallada-cycle similar to the one postulated for the Cope rearrangement of 1,5-dienes.

StereochemistryArylOrganic ChemistryCationic polymerizationchemistry.chemical_elementSettore CHIM/06 - Chimica OrganicaSigmatropic reactionBiochemistryCarroll rearrangementAza-Claisen 124-Oxadiazoles 124-Oxadiazolones PalladiumCatalysisClaisen rearrangementchemistry.chemical_compoundchemistryDrug DiscoveryPalladiumCope rearrangement
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Rearrangement products of 3-methanesulfonyl-N-methyl-N-nitroaniline.

2003

Two isomeric products (C 8 H 10 N 2 O 4 S) of the rearrangement of 3-methanesulfonyl-N-methyl-N-nitroaniline have been investigated, viz. 3-methanesulfonyl-N-methyl-2-nitroaniline, which was the main product of the rearrangement, and 5-methanesulfonyl-N-methyl-2-nitroaniline. In both molecules, the aromatic rings are appreciably deformed towards ortho-quinonoidal geometry by electronic and steric interactions. The crystal structure is stabilized, in both cases, by weak C-H...O hydrogen bonds.

Steric effectsChemistryStereochemistryHydrogen bondMoleculeAromaticityGeneral MedicineCrystal structureSigmatropic reactionMedicinal chemistryGeneral Biochemistry Genetics and Molecular BiologyNitroanilineCope rearrangementActa crystallographica. Section C, Crystal structure communications
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ChemInform Abstract: Ring Expansion of 1,2,3,4-Tetrahydroisoquinolines to Dibenzo[c,f]azonines. An Unexpected [1,4]-Sigmatropic Rearrangement of Nitr…

2014

When the products of a Strecker reaction of 1,2,3,4-tetrahydroisoquinolines with aromatic aldehydes are quaternized with alkyl triflates and subsequently treated with base, a ring expansion to 6,7,8,13-tetrahydro-5H-dibenzo[c,f]azonine-5-carbonitriles takes place. The nine-membered cyclic products can be obtained in good yields (78–89%) in a process involving the [1,4]-sigmatropic rearrangement of a nitrile-stabilized ammonium ylide. The reaction sequence provides a new, simple, and efficient method for the synthesis of these unusual N-heterocycles.

chemistry.chemical_classificationBase (chemistry)NitrileStereochemistryStrecker amino acid synthesisGeneral MedicineSigmatropic reactionRing (chemistry)Medicinal chemistrychemistry.chemical_compoundchemistryYlideAmmoniumAlkylChemInform
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Flexible Synthesis of Planar Chiral Azoninones and Optically Active Indolizidinones

2014

The flexible synthesis of defined substituted optically active indolizidinones starting from chiral pool (S)-proline and trans 4-hydroxy-(S)-proline is described. Several defined 2-vinylpyrrolidines were generated in short sequences. The aza-Claisen rearrangement using chloro and phenylketene equivalents delivered nine-membered-ring lactams with up to three stereogenic centres and pS-arranged E olefins. Depending on the substitution pattern, certain azoninones had a flexible conformation and showed pS/pR double-bond flipping. Treatment of the unsaturated lactams with the soft electrophile iodine induced diastereoselective transannular ring contractions. Here, the planar chiral arrangement o…

chemistry.chemical_classificationPlanarDouble bondchemistryStereochemistryOrganic ChemistryElectrophileMoleculePhysical and Theoretical ChemistrySigmatropic reactionOptically activeRing (chemistry)StereocenterEuropean Journal of Organic Chemistry
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