Search results for "Controlled Synthesis"

showing 2 items of 2 documents

Ring splitting of azetidin-2-ones via radical anions

2012

The radical anions of azetidin-2-ones, generated by UV-irradiation in the presence of triethylamine, undergo ring-splitting via N-C4 or C3-C4 bond breaking, leading to open-chain amides. This reactivity diverges from that found for the neutral excited states, which is characterised by alpha-cleavage. The preference for beta-cleavage is supported by DFT theoretical calculations on the energy barriers associated with the involved transition states. Thus, injection of one electron into the azetidin-2-one moiety constitutes a complementary activation strategy which may be exploited to produce new chemistry.

AnionsAZETIDINESFree RadicalsUltraviolet RaysElectronVINYL ETHERSRing (chemistry)PhotochemistryBiochemistryPolarizable continuum modelchemistry.chemical_compoundN-(ARYLIDENE(OR ALKYLIDENE)AMINO)-2-AZETIDINONESQUIMICA ORGANICAMoietyReactivity (chemistry)BETA-LACTAM RINGPhysical and Theoretical ChemistryTriethylamineDNA PHOTOLYASEMolecular StructureSTEREOCONTROLLED SYNTHESISOrganic ChemistryTransition stateSTEREOSELECTIVE-SYNTHESISchemistryPOLARIZABLE CONTINUUM MODELExcited stateQuantum TheoryPHOTOCHEMICAL-REACTIONSBUILDING-BLOCKS
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Chemical profiling of the synthetic cannabinoid MDMB-CHMICA: Identification, assessment, and stability study of synthesis-related impurities in seize…

2019

In this work, the most discriminating synthesis-related impurities found in samples from seizures and controlled synthesis of the synthetic cannabinoid MDMB-CHMICA (methyl (S)-2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)-3,3-dimethylbutanoate) were characterized. Based on 61 available powder samples of MDMB-CHMICA, 15 key-impurities were assessed, isolated in larger quantities via flash chromatography and structurally elucidated and characterized via high resolution mass spectrometry and nuclear magnetic resonance spectroscopy. Apart from verifying the relation of the impurities to the major component, the interpretation of their chemical structures with distinct structural elements pro…

IndolesControlled Synthesis ; Impurity Profiling ; Lc-ms ; Mdmb-chmica ; New Psychoactive Substances (nps)Pharmaceutical Science01 natural sciencesAnalytical Chemistry03 medical and health scienceschemistry.chemical_compound0302 clinical medicineColumn chromatographyThionyl chlorideOxalyl chlorideDrug StabilityLiquid chromatography–mass spectrometryImpurityTandem Mass SpectrometryEnvironmental ChemistryHATU030216 legal & forensic medicineDrug TraffickingSpectroscopyChromatography High Pressure LiquidChromatographyChemistryCannabinoidsIllicit Drugs010401 analytical chemistryNuclear magnetic resonance spectroscopy0104 chemical sciencesReagentDrug Contamination
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