Search results for "3-Butadiene"

showing 10 items of 10 documents

ChemInform Abstract: 1,4-Regioselective Iodofunctionalizations of 1,3-Butadiene.

1989

1,3-Butadiene (I) is treated with a iodonium tetrafluoroborate in the presence of HBF4 and aqueous acetonitrile (II) or benzene (IV), yielding the 1,4-adducts (III) or (V).

chemistry.chemical_compoundTetrafluoroborateAqueous solutionchemistryRegioselectivity13-ButadieneGeneral MedicineAcetonitrileBenzeneMedicinal chemistryChemInform
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1,4-regioselective iodofunctionalizations of 1,3-butadiene

1988

Abstract Addition reactions of benzene and acetonitrile to 1,3-butadiene are described. This new iodofunctionalization process proceeds “via” iodonium ion-allylic cation equilibrium and gives regioselectively 1,4-adducts, which can be alternatively obtained by acid treatment of the 1,2-derivative 8 .

Addition reactionchemistry.chemical_compoundchemistryOrganic ChemistryDrug DiscoveryRegioselectivityOrganic chemistry13-ButadieneAcid treatmentBenzeneAcetonitrileBiochemistryTetrahedron Letters
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Biological activation of 1,3-butadiene to vinyl oxirane by rat liver microsomes and expiration of the reactive metabolite by exposed rats.

1983

When 1,3-butadiene is incubated with rat liver microsomes and NADPH both enantiomers of vinyl oxirane are formed, the amount of epoxide being dependent on incubation time, microsomal protein, and substrate concentration. Inhibition by SKF 525 A or dithiocarb as well as induction by pretreatment with phenobarbital or 20-methylcholanthrene suggest participation of cytochrome P-450 in this reaction. The amount of epoxide is enhanced by addition of 1,1,1-trichloropropene oxide and reduced by glutathione, especially in the presence of hepatic cytosol. When rats are exposed to 1,3-butadiene in a closed chamber (conditions of maximal metabolism) vinyl oxirane is exhaled and can be quantitatively d…

MaleCancer ResearchCytochromeMetaboliteEpoxideIn Vitro TechniquesAcetonechemistry.chemical_compoundEthers CyclicmedicineButadienesAnimalsBiotransformationbiology13-ButadieneRats Inbred StrainsStereoisomerismGeneral MedicineGlutathioneMetabolismRatsOncologychemistryBiochemistryMicrosomebiology.proteinMicrosomes LiverEpoxy CompoundsPhenobarbitalmedicine.drugMutagensJournal of cancer research and clinical oncology
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Selective Hydrogenation of 1,3-Butadiene to 1-Butene by Pd(0) Nanoparticles Embedded in Imidazolium Ionic Liquids

2005

The reduction of Pd(acac)2 (acac=acetylacetonate), dissolved in 1-n-butyl-3-methylimidazolium hexafluorophosphate (BMI⋅PF6) or tetrafluoroborate (BMI⋅BF4) ionic liquids, by molecular hydrogen (4 atm) at 75 °C affords stable, nanoscale Pd(0) particles with sizes of 4.9±0.8 nm. Inasmuch as 1,3-butadiene is at least four times more soluble in the BMI⋅BF4 than butenes, the selective partial hydrogenation could be performed by Pd(0) nanoparticles embedded in the ionic liquid. Thus, the isolated nanoparticles promote the hydrogenation of 1,3-butadiene to butenes under solventless or multiphase conditions. Selectivities up to 97% in butenes were observed in the hydrogenation of 1,3-butadiene by Pd…

chemistry.chemical_compoundTetrafluoroboratechemistryHexafluorophosphateIonic liquidInorganic chemistrychemistry.chemical_element13-ButadieneButane1-ButeneGeneral ChemistryCatalysisPalladiumAdvanced Synthesis & Catalysis
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Ab initio SCF and CI calculations on the barrier to internal rotation of 1,3-butadiene

1972

Ab initio SCF and CI calculations employing a set of gaussian lobe functions have been carried out for the ground and excited states of five geometrical C4H6-structures occurring in the course of rotation from cis-butadiene to the trans-isomer. The rotational potential curves are discussed for the ground and excited states. Particularly the potential curve of the lowest triplet state is considered in this connection thereby substantiating quantitatively the proposed mechanism for induced dimerisation of C4H6. Possible assignments of the lowest singlet excited states in trans-butadiene are discussed.

GaussianInternal rotationAb initio13-ButadieneRotationchemistry.chemical_compoundsymbols.namesakechemistryExcited statesymbolsChiropracticsSinglet statePhysics::Chemical PhysicsPhysical and Theoretical ChemistryAtomic physicsTriplet stateTheoretica Chimica Acta
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Cd(II) and Cu(II) coordination polymers constructed from the expanded 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene ligand: conventional and ultrasound-…

2018

Shaabani, Behrouz/0000-0001-5576-4604; Kubicki, Maciej/0000-0001-7202-9169; Grzeskiewicz, Anita M./0000-0003-0377-2260 WOS: 000447971700041 A 3D open inorganic/organic framework, {[Cd(mu-L)(mu(3)-SO4)(H2O)]center dot H2O}(n) (1) [L = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene] was synthesized by the reaction of CdSO4 center dot 8H(2)O with L. The treatment of Cu(NO3)(2)center dot 3H(2)O with the same N,N'-donor ligand in two different solvent mixtures, methanol/ dichloromethane (2) and methanol/ chloroform (3), afforded two new ladder-like coordination polymers of formula {[Cu(mu-L)(mu-NO3)(NO3)]center dot solv}(n) [solv = CH2Cl2 (2) and CHCl3 (3)]. The non-interpenetrated ladder motifs 2 a…

Chloroform010405 organic chemistryLigand13-ButadieneGeneral ChemistryCrystal structure010402 general chemistry01 natural sciencesCatalysis0104 chemical sciencesSolventchemistry.chemical_compoundCrystallographychemistryMaterials ChemistryMoleculeLuminescenceDichloromethane
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CCDC 156596: Experimental Crystal Structure Determination

2001

Related Article: E.Le Grognec, R.Poli, P.Richard|2000|Organometallics|19|3842|doi:10.1021/om000329t

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(eta^4^-23-Dimethyl-13-butadiene)-(eta^5^-cyclopentadienyl)-bis(trifluoroacetato-O)-molybdenumExperimental 3D Coordinates
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CCDC 156595: Experimental Crystal Structure Determination

2001

Related Article: E.Le Grognec, R.Poli, P.Richard|2000|Organometallics|19|3842|doi:10.1021/om000329t

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(eta^5^-Cyclopentadienyl)-(eta^4^-23-dimethyl-13-butadiene)-dimethyl-molybdenumExperimental 3D Coordinates
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CCDC 156594: Experimental Crystal Structure Determination

2001

Related Article: E.Le Grognec, R.Poli, P.Richard|2000|Organometallics|19|3842|doi:10.1021/om000329t

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis((mu~2~-Chloro)-(eta^5^-cyclopentadienyl)-(eta^4^-13-butadiene)-molybdenum)Experimental 3D Coordinates
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CCDC 156597: Experimental Crystal Structure Determination

2001

Related Article: E.Le Grognec, R.Poli, P.Richard|2000|Organometallics|19|3842|doi:10.1021/om000329t

Space GroupCrystallographyCrystal Systembis((mu~2~-Bromo)-(eta^5^-cyclopentadienyl)-(eta^4^-23-dimethyl-13-butadiene)-molybdenum)Crystal StructureCell ParametersExperimental 3D Coordinates
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