Search results for "Cyclohexane"

showing 10 items of 295 documents

CCDC 855068: Experimental Crystal Structure Determination

2013

Related Article: O.Plietzsch, A.Schade, A.Hafner, J.Huuskonen, K.Rissanen, M.Nieger, T.Muller, S.Brase|2013|Eur.J.Org.Chem.|2013|283|doi:10.1002/ejoc.201201162

14-Phenylenebis(bis(4-methoxyphenyl)methanol) cyclohexane solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 853880: Experimental Crystal Structure Determination

2012

Related Article: L.Kaufmann, E.V.Dzyuba, F.Malberg, N.L.Low, M.Groschke, B.Brusilowskij, J.Huuskonen, K.Rissanen, B.Kirchner, C.A.Schalley|2012|Org.Biomol.Chem.|10|5954|doi:10.1039/c2ob25196e

11'29'-Di-t-butyl-5'17'23'35'38'40'43'45'-octamethyl-7'15'25'33'-tetraazadispiro[cyclohexane-12'-heptacyclo-[32.2.2.2^36^.2^1619^.2^2124^.1^913^.1^2731^]hexatetracontane-20'1''-cyclohexane]-1'(36')3'5'9'(44')10'12'16'18'21'23'27'(39')28'30'34'37'-40'42'45'-octadecaene-8'14'26'32'-tetrone NN'-(ethane-12-diyl)-bis(N-methylbenzamide) chloroform solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Photophysical behavior of 3-methylquinoline and 3-bromoquinoline

1992

Abstract The phosphorescence emission and excitation spectra and their polarizations have been studied for 3-methylquinoline and 3-bromoquinoline in methylcyclohexane and ethanol glasses at 77 K. From the results obtained in 3-methylquinoline (τp = 1.30 s in ethanol, τp = 1.05 s in methylcyclohexane and the out-of-plane polarization) it is concluded that the emission originates from a triplet state of 3ππ∗ character. In 3-bromoquinoline, the phosphorescence lifetimes (ca. 8 ms in a non-polar solvent and 15 ms in a polar solvent) and the negative degree of polarization indicate an emitting state of ππ∗ character that is strongly coupled to a higher-lying triplet state of the nπ∗ type. The mo…

Absorption spectroscopyChemistryBiophysicsGeneral ChemistryCondensed Matter PhysicsPhotochemistryBiochemistryAtomic and Molecular Physics and OpticsSolventchemistry.chemical_compoundMoleculeDegree of polarizationMethylcyclohexaneTriplet statePolarization (electrochemistry)PhosphorescenceJournal of Luminescence
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Phase equilibria in the systems 3-methylpentane + methylcyclohexane, diisopropyl ether + methylcyclohexane and 3-methylpentane + diisopropyl ether + …

2002

Abstract Consistent vapor–liquid equilibria (VLE) at 101.3 kPa has been determined for the ternary system 3-methylpentane+diisopropyl ether (DIPE)+methylcyclohexane and the binary subsystems 3-methylpentane+methylcyclohexane and DIPE+methylcyclohexane in the temperature range from 336 to 374 K. According to the experimental results, the systems exhibit slight positive deviation from ideal behavior and no azeotrope is present. The VLE data have been correlated with the composition using the Wilson, UNIQUAC and NRTL relations. These models allow good prediction of the VLE properties of the ternary system from those of the pertinent binary subsystems.

Activity coefficientUNIQUACTernary numeral systemGeneral Chemical EngineeringGeneral Physics and AstronomyThermodynamicschemistry.chemical_compoundchemistryAzeotropeNon-random two-liquid modelDiisopropyl etherPhysical and Theoretical ChemistryMethylcyclohexane3-MethylpentaneFluid Phase Equilibria
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Vapor−Liquid Equilibria for the Binary Systems tert-Butyl Alcohol + Toluene, + Isooctane, and + Methylcyclohexane at 101.3 kPa

1998

Vapor-liquid equilibria were measured for binary systems of tert-butyl alcohol with toluene, isooctane, and methylcyclohexane at 101.3 kPa using a recirculating still. Experimental values of the vapor pressure of non-oxygenated pure components have been obtained. The accuracy of experimental measurements was ±0.01 K in temperature, ±0.01 kPa in pressure, and ±0.001 in mole fractions. The results are thermodynamically consistent according to the point-to-point consistency test. The data were correlated with five liquid-phase activity coefficients models (Margules, Van Laar, Wilson, NRTL, UNIQUAC).

Activity coefficientUNIQUACVapor pressureGeneral Chemical EngineeringThermodynamicsGeneral ChemistryTolueneGroup contribution methodchemistry.chemical_compoundchemistryNon-random two-liquid modelOrganic chemistryBinary systemMethylcyclohexaneJournal of Chemical & Engineering Data
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Derivatisation of Pyrogallarenes

2005

Derivatisation of upper-rim hydroxy groups of pyrogallarenes produced completely acylated and tosylated pyrogallarene derivatives. Mesitylation of pyrogallarene, however, resulted in a regioselective derivatisation of hydroxy groups, i.e. eight OH groups out of 12 were mesitylated. Crystal structures of the synthesised pyrogallarene derivatives indicate that completely substituted pyrogallarenes exist in a distorted crown conformation despite of the lack of stabilising intramolecular hydrogen bonds. In contrast, the partially substituted pyrogallarene adopts a boat conformation and has an open cavity for the inclusion of small guest molecules. © Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinh…

AcylationOpen cavityHydrogen bondStereochemistryChemistryIntramolecular forceOrganic ChemistryCyclohexane conformationMoleculeRegioselectivityCrystal structurePhysical and Theoretical ChemistryMedicinal chemistryEuropean Journal of Organic Chemistry
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The identification of vicinally substituted cyclohexane isomers in their mixtures by 1H and 13C NMR spectroscopy.

2000

The radical addition reactions of organobromine compounds, XBr (X = CH2COOMe, PhCH2, CHBr2 and CCl3) with cyclohexene afforded mixtures of cis/trans isomer pairs of 1-X-2-Br-cyclohexanes. In addition to benzyl benzoyloxy derivatives are formed also, when benzoyl peroxide is used as an initiator. Owing to the great difficulties in separating these cis/trans isomer pairs, they are identified directly in their mixtures by NMR spectroscopy. In addition to one-dimensional (ID) 1H, proton decoupled 13C and DEPT-135, also two-dimensional (2D) 13C-13C INADEQUATE as well as 1H-13C HMQC experiments have been used in assigning the signals of each compound in their mixtures. The identification of each …

Addition reactionCarbon IsotopesMagnetic Resonance SpectroscopyCyclohexaneStereochemistryCyclohexeneMolecular ConformationStereoisomerismStereoisomerismBenzoyl peroxideNuclear magnetic resonance spectroscopyTritiumMedicinal chemistryAtomic and Molecular Physics and OpticsAnalytical Chemistrychemistry.chemical_compoundchemistryCyclohexanesmedicineMolecular orbitalInstrumentationSpectroscopyCis–trans isomerismmedicine.drugSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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Concentrations and determinants of organochlorine levels among pregnant women in Eastern Spain

2010

Persistent organic pollutants (POPs) comprise a large variety of toxic substances with ample distribution. While exposure to these toxins occurs mainly through diet, maternal POP levels may be influenced by certain sociodemographic, environmental, or lifestyle factors. This is important given that these substances may have adverse effects on fetal development. The aim of this study is to examine the sociodemographic, environmental, lifestyle, and dietary determinants of the levels of hexachlorobenzene (HCB), b-hexachlorocyclohexane (b-HCH), 1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane (4,4′-DDT), 1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene (4,4′-DDE), and polychlorinated biphenyls (PCB co…

AdultEnvironmental EngineeringDichlorodiphenyl DichloroethyleneDDTchemistry.chemical_compoundPregnancyEnvironmental healthmedicineHexachlorobenzeneHydrocarbons ChlorinatedEnvironmental ChemistryHumansWaste Management and DisposalPersistent organic pollutantPregnancyPCBOrganochlorine compoundCohortfood and beveragesHexachlorobenzenemedicine.diseasePollutionDietchemistryMaternal ExposureSpainEnvironmental chemistryCohortPopulation studyEnvironmental PollutantsFemaleBreast feedingBody mass indexHexachlorocyclohexaneCohort study
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Use of gabapentin to reduce chronic neuropathic pain in Fabry disease.

2003

The effect of the anticonvulsant gabapentin on neuropathic pain was studied in six male patients with Fabry disease, aged 15-45 years. After 4 weeks of treatment, pain, as measured using the Brief Pain Inventory, was decreased compared with baseline. Treatment was generally well tolerated. This study indicates that gabapentin should be considered as a treatment option for the neuropathic pain of Fabry disease.

AdultMalemedicine.medical_specialtyDiabetic neuropathyGabapentinAdolescentCyclohexanecarboxylic Acidsmedicine.medical_treatmentAcetatesGeneticsmedicineHumansBrief Pain InventoryAminesGenetics (clinical)gamma-Aminobutyric AcidPain Measurementbusiness.industryVascular diseaseEnzyme replacement therapymedicine.diseaseFabry diseaseSurgeryAnticonvulsantTreatment OutcomeAnesthesiaNeuropathic painFabry DiseaseNeuralgiaAnticonvulsantsGabapentinbusinessmedicine.drugJournal of inherited metabolic disease
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Elimination of beta-hexachlorocyclohexane in occupationally exposed persons.

1997

The elimination of beta-hexachlorocyclohexane (beta-HCH) in humans was investigated in a group of 40 former workers of a lindane-producing plant by analyzing at least 2 blood specimens (3 specimens in 3 workers) from different time points. Assuming a first-order kinetic model for excretion, the median half-life of beta-HCH is 7.2 yr calculated by concentrations in whole blood and 7.6 yr calculated by concentrations in extractable lipids. In univariate analyses an influence of age, percent body fat, and liver disease (additionally in whole blood an influence of contents of extractable lipids) on clearance was observed. All factors show a positive correlation with half-life. According to a mu…

AdultMalemedicine.medical_specialtyHexachlorocyclohexaneToxicologyExcretionCohort Studieschemistry.chemical_compoundAnimal scienceOccupational ExposureLinear regressionmedicineToxicokineticsHumansWhole bloodAgedUnivariate analysisMiddle AgedPollutionSurgeryOccupational DiseaseschemistryAdipose TissueChemical IndustryBody CompositionRegression AnalysisFemaleLindaneClearance rateHexachlorocyclohexaneHalf-LifeJournal of toxicology and environmental health
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