Search results for "Effects"

showing 10 items of 2634 documents

ChemInform Abstract: Ortho-Substituent Effects in N-Arylacetamides. NMR and Molecular Mechanics Investigation.

2010

1H, 13C, 15N and 17O NMR spectra of N-phenylacetamide (acetanilide) and 21 ortho-substituted acetanilides were measured and assigned. The observed NMR parameters are related to the Hammett substituent parameters and conformational characteristics of the acetamido moiety estimated by molecular mechanics calculations. Significant relationships were found for the 13C NMR chemical shifts of C-5 (para to substituent) and the direct spin–spin coupling constant, 1J(C, H), of C-3 (ortho to substituent) with Hammett substituent parameters. For 15N NMR chemical shifts of the amido nitrogen, no general correlation with the Hammett substituent parameters was found. The interactions between functionalit…

Steric effectschemistry.chemical_compoundChemistryChemical shiftSubstituentMoietyGeneral MedicineCarbon-13 NMRResonance (chemistry)Ring (chemistry)Medicinal chemistryAcetanilideChemInform
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Durch sterische effekte stabilisierte ß-ketocarbonsäuren

1989

Abstract Increasing steric hindrance in β-keto carboxylic acids leads to an increasing kinetic stability towards decarboxylation, till systems are reached which are completely stable at room temperature. Simultaneously the tautomeric equilibrium is changed in favour of the (Z)-enol, and finally in favour of the (E)-configurated enol.

Steric effectschemistry.chemical_compoundChemistryDecarboxylationOrganic ChemistryDrug DiscoveryOrganic chemistryKeto–enol tautomerismAliphatic compoundBiochemistryMedicinal chemistryTautomerEnolTetrahedron Letters
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Complexation of Small Molecules by Open-Ended Resorcarene Hosts

2002

[structure: see text] Sterically hindered tetraaminomethylated resorcarenes form inclusion complexes in CDCl(3) with acetonitrile and acetaldehyde, which are kinetically stable on the NMR time scale at 233 K.

Steric effectschemistry.chemical_compoundChemistryOrganic ChemistryPolymer chemistryAcetaldehydeOrganic chemistryPhysical and Theoretical ChemistryResorcinareneAcetonitrileBiochemistrySmall moleculeOrganic Letters
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Stereoselektive Glycosylierung von Steroidalkoholen mit 2,3,4,6-Tetra-O-privaloyl-α-D-glucopyranosylbromid (Pivalobromglucose) und 2,3,4,6-Tetra-O-(o…

1986

Steroidalkohole verschiedener Struktur, deren Hydroxyfunktionen aus elektronischen und sterischen Grunden in ihrer Reaktivitat differieren und die daruber hinaus empfindliche Gruppierungen enthalten, werden mit 2,3,4,6-Tetra-O-pivaloyl-α-D-glucopyranosylbromid (1) selektiv und effektiv in β-Glucoside ubergefuhrt. Dank des lenkenden Einflusses des 2-O-Pivaloyl-Substituenten wird eine Orthoesterbildung bei den Koenigs-Knorr-Reaktionen stark unterdruckt. Mit dem o-Toluoylrest als Hydroxyschutzgruppe wird diese Lenkung nur in geringem Mas erreicht. Stereoselective Glycosylation of Steroid Alcohols Using 2,3,4,6-Tetra-O-pivaloyl-α-D-glucopyranosyl Bromide (Pivalobromoglucose) and 2,3,4,6-Tetra-O…

Steric effectschemistry.chemical_compoundChemistryStereochemistryBromideOrganic ChemistrySubstituentMoietyStereoselectivityReactivity (chemistry)Nuclear magnetic resonance spectroscopyPhysical and Theoretical ChemistryProtecting groupLiebigs Annalen der Chemie
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A sterically crowded triazene: 1,3-bis(3,5,3′′,5′′-tetramethyl-1,1′:3′;1′′-terphenyl-2′-yl)triazene

2007

Steric effectschemistry.chemical_compoundChemistryTerphenylGeneral Materials ScienceGeneral ChemistryTriazeneCondensed Matter PhysicsMedicinal chemistryActa Crystallographica Section E Structure Reports Online
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ChemInform Abstract: Two Strained Hexahelicenophanes.

2000

The crystal structures of the [6]­helicenes 4,13-(1,10-deca­methyl­ene­dioxy)­hexahelicene, C36H34O2, (I), and 4,13-(1,8-octa­methyl­ene­dioxy)­hexahelicene, C34H30O2, (II), show strong steric interactions between the terminal benzene rings and the poly­methyl­ene­dioxy chains. The shortest ring A and F distances amount to 2.941 (3) and 2.902 (3) A, respectively. The increased steric energy of the ground state is responsible for a significantly lower racemization barrier of (I) and (II) in comparison to the unsubstituted [6]­helicene.

Steric effectschemistry.chemical_compoundCrystallographyHelicenechemistryGeneral MedicineCrystal structureGround stateRing (chemistry)BenzeneRacemizationChemInform
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Tropylium cation capsule of hydrogen-bonded tetraurea calix[4]arene dimers

2001

The interaction between tropylium salts and tetraurea calix[4]arene derivatives (such as 1 and 2) was studied in solution using 1D, 2D, diffusion, VT NMR and UV–visible spectroscopy. It was found that tropylium salts form charge transfer complexes with both the monomers and dimers of the tetraurea calix[4]arene derivatives depending on the experimental conditions. Compound 1 increases dramatically the solubility of tropylium salts in apolar solvents such as C2D4Cl2, CDCl3 and CD2Cl2 by forming the molecular capsule 1·C7H7+·1. In contrast to the benzene capsule of 1, in 1·C7H7+·1 the hydrogen bonds in the equatorial region that hold together the two parts of the dimer change their directiona…

Steric effectschemistry.chemical_compoundCrystallographyMonomerchemistryStereochemistryHydrogen bondTropylium cationDimerElectronic effectSolubilityBenzene
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13C NMR of carbonyl compounds -4. Solution conformation of β-ionone and related dienones

1986

Abstract The steric factors relevant for the conformations of β-ionone and structurally related compounds were studied by dynamic n.m.r. and 1 H, 1 H-NOE measurements.

Steric effectschemistry.chemical_compoundCyclic compoundchemistryStereochemistryOrganic ChemistryDrug DiscoveryNuclear magnetic resonance spectroscopyNuclear Overhauser effectCarbon-13 NMRIononeBiochemistryEnoneTetrahedron Letters
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ChemInform Abstract: Synthesis of Oligodeoxynucleotides Containing Diastereomeric Dihydrodiol Epoxide-N6-Deoxyadenosine Adducts of Polycyclic Aromati…

2010

Abstract A generally applicable route is reported for the synthesis of oligodeoxynucleotides which contain structurally defined N 6 -deoxyadenosine adducts, derived from sterically highly hindered dihydrodiol epoxides of polycyclic aromatic hydrocarbons (PAH).

Steric effectschemistry.chemical_compoundDeoxyadenosineStereochemistryChemistryDiastereomerNucleic acidEpoxideGeneral MedicineAdductChemInform
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ChemInform Abstract: nBuLi-Mediated Hydrophosphination: A Simple Route to Valuable Organophosphorus Compounds.

2010

A straightforward synthesis of homoallyl- and allylphosphanes has been developed using nBuLi-mediated hydrophosphination of conjugated dienes. In all the cases the phosphorus atom of the reacting phosphane attacked the sterically less demanding side of the diene exclusively. In addition, high regioselectivities towards 1,2- or 1,4-addition products were observed depending on the nature of the dienes. This hydrophosphination reaction was extended to a variety of substrates such as styrene derivatives, alkynes and 1,3,5-cycloheptatriene. The structures of three hydrophosphination products were confirmed by X-ray diffraction studies.

Steric effectschemistry.chemical_compoundDienechemistryPhosphorus atomHydrophosphinationGeneral MedicineConjugated systemCombinatorial chemistryStyreneChemInform
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