Search results for " NITRILE"

showing 10 items of 11 documents

Organocatalytic enantioselective Strecker reaction with seven-membered cyclic imines

2018

[EN] A highly enantioselective Strecker reaction with dibenzo[b,f][1,4]oxazepines has been described using a dihydroquinine-derived thiourea as organocatalyst. The reaction affords chiral 10,11-dihydrodibenzo[b,f][1,4] oxazepine 11-carbonitrile derivatives in excellent yields (up to 99%) and excellent enantioselectivities (up to 98%) under mild reaction conditions.

010405 organic chemistryChemistryOrganocatalysisDibenzo[bf][14]oxazepinesStrecker amino acid synthesisEnantioselective synthesisGeneral Chemistry010402 general chemistry01 natural sciences0104 chemical sciencesReaccions químiquesAlpha-amino nitrilesCatàlisiStrecker reactionOrganocatalysisFISICA APLICADAAsymmetric catalysisEconomic historymedia_common.cataloged_instanceEuropean unionmedia_common
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New approach to condensed pyrid-2-ones

2002

We wish to report a simple procedure for the preparation of 5-substituted-thienopyridin-7-ones and 7-substituted-1,6-naphthyridin-5(6H)-ones, in good yields, from the dianions of 3-methylthiophene-2-carboxylic and 2-methylnicotinic acids on treatment with nitriles. Brun Sanchez, Eva Maria, Eva.M.Brun@uv.es ; Gil Grau, Salvador, Salvador.Gil@uv.es ; Parra Alvarez, Margarita, Margarita.Parra@uv.es

ChemistryCarboxylic acidsUNESCO::QUÍMICAOrganic Chemistry:QUÍMICA::Química orgánica [UNESCO]HeterocyclesCombinatorial chemistry:QUÍMICA [UNESCO]Addition reactionslcsh:QD241-441lcsh:Organic chemistrySimple (abstract algebra)Computational chemistryNitrilesCarboxylic acids ; Nitriles ; Addition reactions ; Heterocycles ; Tandem reactionsTandem reactionsUNESCO::QUÍMICA::Química orgánica
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One-Pot Synthesis of Trisubstituted 1,2-Amino Alcohols from Deprotonated α-Amino Nitriles

2008

A short synthesis of N,1,2-trisubstituted vicinal amino alcohols by 1,2-addition of deprotonated N-monosubstituted α-amino nitriles to aldehydes and subsequent one-pot reduction of the intermediates with borane–THF is described. This procedure leads to the predominant formation of the anti-configured products. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

DeprotonationChemistryOrganic ChemistryOne-pot synthesisOrganic chemistryAmino nitrilesPhysical and Theoretical ChemistryVicinalUmpolungEuropean Journal of Organic Chemistry
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A DFT mechanistic study of the synthesis of trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl from addition of NH3 to trans-[PtIICl2(N CMe)2]

2020

Abstract The reaction mechanism between trans-[PtIICl2(N CMe)2] and ammonia to give trans-Z,Z-[PtIICl(NH3){HN = C(NH2)Me}2]Cl has been studied at DFT level. Results showed that, in dichloromethane solution at 263.15 K, the chloride substitution by the ammonia on platinum is a process kinetically more favoured than the ammonia nucleophilic addition to the nitrile of about three orders of magnitude, and hence the nucleophilic addition reaction occurs after. Finally, both nucleophilic addition steps are geometrically driven to give products in the E configuration even if the final products were experimentally observed in the Z configuration. For trans-Z,Z-[PtIICl(NH3)(N CMe)2, the isomerizatio…

KineticPlatinum complexeReaction mechanismNucleophilic additionPlatinum complexesNitrilechemistry.chemical_elementDFTMedicinal chemistryInorganic ChemistryAmidineNucleophilic substitutionchemistry.chemical_compoundDeprotonationchemistryNitrilesMaterials ChemistryNucleophilic substitutionPhysical and Theoretical ChemistryNucleophilic additionPlatinumNitrileIsomerizationDFT; Kinetic; Nitriles; Nucleophilic addition; Nucleophilic substitution; Platinum complexesInorganica Chimica Acta
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Reaction between Indazole and Pd-Bound Isocyanides-A Theoretical Mechanistic Study

2018

The mechanism of the addition of indazole (Ind)&mdash

Models Molecular3003Activation of small moleculesIndazolesisocyanideIsocyanidePharmaceutical ScienceDFT calculationProtonation010402 general chemistryDFT calculationsactivation of small molecule01 natural sciencesMedicinal chemistryArticleAnalytical Chemistrylcsh:QD241-441chemistry.chemical_compoundDeprotonationNucleophilelcsh:Organic chemistryTheoreticalModelsDrug DiscoveryNitrilesPhysical and Theoretical ChemistryMechanical PhenomenaIndazoleNucleophilic additionCyanidesMolecular Structure010405 organic chemistrynitrileDrug Discovery3003 Pharmaceutical ScienceOrganic ChemistryRegioselectivityMolecularIsocyanidesModels TheoreticalTautomer0104 chemical sciencesnucleophilic additionchemistryChemistry (miscellaneous)Settore CHIM/03 - Chimica Generale E InorganicaMolecular Medicinereaction mechanismActivation of small molecules; DFT calculations; Isocyanides; Nitriles; Nucleophilic addition; Reaction mechanism; Cyanides; Indazoles; Models Molecular; Molecular Structure; Palladium; Mechanical Phenomena; Models Theoretical; Analytical Chemistry; Chemistry (miscellaneous); Molecular Medicine; 3003; Drug Discovery3003 Pharmaceutical Science; Physical and Theoretical Chemistry; Organic ChemistryPalladium
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Pt(II) nitrile complexes: New insights on old complexes from a combined experimental and theoretical study

2017

Abstract The spectroscopic characterization of cis - and trans -[PtCl 2 (NCR) 2 ] (R = CH 3 , Ph, CH 2 Ph) was reported in solid state and solution phase. Moreover, the X-ray structures of cis -[PtCl 2 (NCCH 3 ) 2 ], cis - and trans -[PtCl 2 (NCPh) 2 ] were redetermined at low temperature. FT-IR and NMR showed a blue-shift and a slight shielding of the νCN and δ ( 13 C CN ) values, respectively, in a counterintuitive way with respect to the well known improved reactivity towards nucleophiles of nitriles ligands coordinated to platinum(II), when compared to their free forms. These spectroscopic behaviors were also confirmed by theoretical experiments at DFT level. Moreover, DFT approach show…

NitrileStereochemistrySolid-statechemistry.chemical_elementTheoretical calculations010402 general chemistry01 natural sciencesMedicinal chemistryCP MAS NMR studyInorganic Chemistrychemistry.chemical_compoundNucleophilePlatinum nitrile complexesMaterials ChemistryOrbital controlReactivity (chemistry)Platinum nitrile complexePhysical and Theoretical Chemistry010405 organic chemistrySolution phase0104 chemical sciencesBenzonitrilechemistrySettore CHIM/03 - Chimica Generale E InorganicaCP MAS NMR study; Platinum nitrile complexes; Spectroscopic characterization; Theoretical calculationsSpectroscopic characterizationPlatinum
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Oxazoline-containing compatibilizers for polyamide/SAN and polyamide/ABS blends

2002

Polyamide (PA) and acrylonitrile/butadiene/styrene copolymer (ABS) may appear as a mixture in the recycled plastic stream. The incompatibility of these blends results in a blend with poor mechanical properties. The aim of this work is to partially convert the nitrile groups of the acrylonitrile/styrene copolymer (SAN) into oxazoline groups by reaction with aminoethanol (AE). Such modified SAN (SAN-m) can react with the amine or carboxylic acid end groups of PA, and therefore used as compatibilizers for blends of PA with ABS. SAN-m was found to reduce the SAN-domain size in the PA/SAN-blends. The initial acrylonitrile content of SAN-m had a strong influence on the degree of conversion into o…

POLYOLEFINSblendingPOLYETHYLENEMaterials sciencecompatibilizationPolymers and PlasticsNitrileChemical modificationGeneral ChemistryOxazolineCompatibilizationELASTOMERSCOPOLYMERSSurfaces Coatings and FilmsStyrenepolyamides NITRILEchemistry.chemical_compoundSettore ING-IND/22 - Scienza E Tecnologia Dei MaterialichemistryPolyamidePolymer chemistryMaterials ChemistryCopolymerAcrylonitrileMELTJournal of Applied Polymer Science
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A Short Synthesis of Polysubstituted Pyrrolidines via α-(Alkylidene­amino)nitriles

2004

α-(Alkylideneamino)nitriles can be deprotonated under mild conditions. Their conjugated anions react with enones in a 1,4-addition to yield δ-keto-α-(alkylideneamino)nitriles which in turn can be reduced to form pyrrolidines in a one-pot reaction sequence.

Turn (biochemistry)DeprotonationReaction sequenceChemistryYield (chemistry)Organic ChemistryOrganic chemistryAmino nitrilesGeneral MedicineConjugated systemMedicinal chemistryPyrrole derivativesSynlett
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A new strategy for the synthesis of fluorinated 3,4-dihydropyrimidinones

2009

A new family of 3,4-dihydropyrimidinones (DHPMs) bearing fluorinated substituents at C6 have been prepared from gem-difluorinated nitriles, alkyl 3-butenoates and iso(thio)cyanates. This novel Biginelli-type process relies on the gamma-addition of the ester-derived enolate to fluorinated nitriles. A tandem nucleophilic addition aza-Michael reaction sequence completes the synthetic process. (C) 2009 Elsevier B.V. All rights reserved.

chemistry.chemical_classificationNucleophilic additionFluorinated nitrilesTandemChemistryOrganic ChemistryThio-BiochemistryInorganic ChemistryReaction sequenceMulticomponent reactionsEnvironmental ChemistryOrganic chemistryFluorinated dihydropyrimidinonesPhysical and Theoretical ChemistryAlkylIntramolecular aza-Michael reaction
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One-Pot Synthesis of (±)-Crispine A and Its C-Ring-Substituted Analogs

2006

A straightforward access to crispine A and C-ring-substituted analogs by 1,4-addition of a deprotonated α-amino nitrile to α,β-unsaturated carbonyl compounds is described. If the reduction step is omitted, substituted 5,6-dihydropyrrolo[2,1-a]isoquinolines can be obtained. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

chemistry.chemical_compoundDeprotonationNitrileChemistryOrganic ChemistryOne-pot synthesisOrganic chemistryAmino nitrilesPhysical and Theoretical ChemistryUmpolungEuropean Journal of Organic Chemistry
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