Search results for "Propenyl"

showing 10 items of 13 documents

CCDC 1995923: Experimental Crystal Structure Determination

2020

Related Article: Dinh Cao Huan Do, Petra Vasko, M. Ángeles Fuentes, Jamie Hicks, Simon Aldridge|2020|Dalton Trans.|49|8701|doi:10.1039/D0DT01447H

(N-(26-di-isoopropylphenyl)-13-bis(dimethylamino)-3-iminopropenyl)-(26-di-isopropylphenylimino)-(bis(trimethylsilyl)phosphide)-silicon benzene solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

Analytic CCSD(T) second derivatives

1997

A general-purpose implementation of analytic CCSD(T) second derivatives is presented. Its applicability is demonstrated by calculations of vibration-rotation interaction constants for the astrophysically important molecule cyclopropenylidene (C3H2) in which the required cubic force constants have been determined by numerical differentiation of analytically evaluated second derivatives of the energy.

Force constantCyclopropenylidenechemistry.chemical_compoundComputational chemistryChemistryNumerical differentiationGeneral Physics and AstronomyMoleculeThermodynamicsPhysics::Chemical PhysicsPhysical and Theoretical ChemistrySecond derivativeChemical Physics Letters
researchProduct

Phosphororganische Verbindungen, 64: Allyl‐Propenyl‐Umlagerungen Das elektrochemische Verhalten einiger Propenylverbindungen

1970

Allyl-aryl-sulfone, Allyl-diphenyl-phosphinoxid, Allylphosphonsaure-diathylester, Allyl-triphenyl-phosphoniumbromid und Allyl-triphenyl-arsoniumbromid lagern sich an basischem Al2O3 in die entsprechenden 1-Propenyl-Verbindungen um. Allyl-diphenyl-phosphin und Diallyl-phenyl-phosphin isomerisieren sich unter Mitwirkung von Natriumathylat zu den entsprechenden 1-Propenyl-Verbindungen. Die Allyl- und 1-Propenyl-Verbindungen werden IR- und NMR-spektroskopisch sowie polarographisch charakterisiert. — Bei der kathodischen Spaltung von 1-Propenyltriphenyl-phosphoniumbromid entstehen 92% Triphenylphosphin und Propen. 1-Propenyl-phenyl-sulfon wird elektrochemisch in Propen und Benzol-sulfinsaure auf…

Inorganic ChemistryPropenePropenylchemistry.chemical_compoundSodium ethoxidechemistryBromideArylAllyl compoundOrganic chemistryTriphenylphosphineMedicinal chemistrySulfoneChemische Berichte
researchProduct

Cleavable Polyethylene Glycol: 3,4-Epoxy-1-butene as a Comonomer to Establish Degradability at Physiologically Relevant pH.

2016

Polyethylene glycol (PEG) has been used for decades to improve the pharmacokinetic properties of protein drugs, and several PEG-protein conjugates are approved by the FDA. However, the nondegradability of PEG restricts its use to a limiting molecular weight to permit renal excretion. In this work, we introduce a simple strategy to overcome the nondegradability of PEG by incorporating multiple pH-sensitive vinyl ether moieties into the polyether backbone. Copolymerization of 3,4-epoxy-1-butene (EPB) with ethylene oxide via anionic ring-opening polymerization (AROP) provides access to allyl moieties that can be isomerized to pH-cleavable propenyl units (isoEPB). Well-defined P(EPB-co-EG) copo…

Materials sciencePolymers and Plasticsmacromolecular substances02 engineering and technologyPolyethylene glycol010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundPEG ratioPolymer chemistryMaterials ChemistrymedicineOrganic chemistryPropenylEthylene oxideComonomerOrganic Chemistrytechnology industry and agriculture1-ButeneVinyl ether021001 nanoscience & nanotechnology0104 chemical scienceschemistryPolymerization0210 nano-technologymedicine.drugACS macro letters
researchProduct

Highly regio- and stereoselective iodocyclization of chiral 3-alkoxycarbonyl-4-propenyl-2,2-dimethyl-1,3-oxazolidines: a computational investigation

1999

The iodocyclization of allylic carbamates 3a and 3b proceeded with high regio- and stereoselection to give 2-oxobicyclo[4.3.0]nonane 5a as the major product. Both the regio- and diastereoselection of the reaction were investigated with the help of molecular mechanics and quantomechanical calculations. The energetic difference between the competing transition states TS-5a and TS-5b is in good agreement with the experimental results and from the calculated transition structures it appears that steric factors direct the discrimination.

PropenylSteric effectsAllylic rearrangementStereochemistryChemistryOrganic ChemistryMedicinal chemistryCatalysisTransition stateInorganic Chemistrychemistry.chemical_compoundStereoselectivityPhysical and Theoretical ChemistryNonaneTetrahedron: Asymmetry
researchProduct

CCDC 634439: Experimental Crystal Structure Determination

2007

Related Article: E.Karpuk, D.Schollmeyer, H.Meier|2007|Eur.J.Org.Chem.|2007|1983|doi:10.1002/ejoc.200700010

Space GroupCrystallographyCrystal System(EEE)-135-tris(3-oxo-3-phenylpropenyl)benzene chloroform solvateCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1995925: Experimental Crystal Structure Determination

2020

Related Article: Dinh Cao Huan Do, Petra Vasko, M. Ángeles Fuentes, Jamie Hicks, Simon Aldridge|2020|Dalton Trans.|49|8701|doi:10.1039/D0DT01447H

Space GroupCrystallographyCrystal System(N-(26-di-isoopropylphenyl)-13-bis(dimethylamino)-3-iminopropenyl)-(26-di-isopropylphenylimino)-(tris(trimethylsilyl)silyl)-siliconCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct

CCDC 1995922: Experimental Crystal Structure Determination

2020

Related Article: Dinh Cao Huan Do, Petra Vasko, M. Ángeles Fuentes, Jamie Hicks, Simon Aldridge|2020|Dalton Trans.|49|8701|doi:10.1039/D0DT01447H

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(N-(26-di-isoopropylphenyl)-13-bis(dimethylamino)-3-iminopropenyl)-(26-di-isopropylphenylimino)-(bis(trimethylsilyl)amide)-siliconExperimental 3D Coordinates
researchProduct

CCDC 164065: Experimental Crystal Structure Determination

2002

Related Article: P.Lahuerta, J.Perez-Prieto, M.Sanau, N.Siguero, S.-E.Stiriba|2001|Inorg.Chim.Acta|323|152|doi:10.1016/S0020-1693(01)00547-3

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis((mu~2~-Trifluoroacetato)-(trifluoroacetyl)-((1S2S5R)-(2-hydroxy-5-isopropenyl-2-methylcyclohexyl)diphenylphosphane)-rhodium(ii))Experimental 3D Coordinates
researchProduct

CCDC 139657: Experimental Crystal Structure Determination

2001

Related Article: P.Lahuerta, E.Moreno, A.Monge, G.Muller, J.Perez-Prieto, M.Sanau, S.-E.Stiriba|2000|Eur.J.Inorg.Chem.||2481|doi:10.1002/1099-0682(200012)2000:12<2481::AID-EJIC2481>3.0.CO;2-M

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbis((mu~2~-Trifluoroacetato-OO')-(trifluoroacetato-O)-(((1S2S5R)-2-hydroxy-5-(isopropenyl)-2-methylcyclohexyl)diphenylphosphine-PO)-rhodium(ii)) chloroform solvateExperimental 3D Coordinates
researchProduct