Structural investigations of three triazines: Solution-state NMR studies of internal rotation and structural information from solid-state NMR, plus a full structure determination from powder X-ray diffraction in one case was written by Birkett, Helen E.;Cherryman, Julian C.;Chippendale, A. Margaret;Evans, John S. O.;Harris, Robin K.;James, Mark;King, Ian J.;McPherson, Graham J.. And the article was included in Magnetic Resonance in Chemistry in 2003.Category: chlorides-buliding-blocks The following contents are mentioned in the article:
Three model 2,4,6-tris(amino)-1,3,5-triazines, structurally related to a dyestuff mol. previously studied by NMR, were synthesized in order to enable the effects of rotamer exchange on the NMR spectra to be investigated in more detail. Two of the compounds are novel. Internal rotation of the triazine ring substituents was studied by variable-temperature solution-state 1H, 13C and 15N NMR spectroscopy. All the expected rotamers were detected for each mol. Rotamer exchange rates varied from slow to fast over the temperature range -40 to 90°C, as observed for the dyestuff mol. itself. Solid-state 13C and 15N NMR provided information about the structures of the solid mols. A full crystal structure determination from high-resolution powder x-ray diffraction was achieved for one of the mols. using simulated annealing techniques. Ab initio MO and 15N NMR chem. shift calculations, based on energy-minimized structures derived from the x-ray structure determination, enabled the effect of intermol. hydrogen bonding on the 15N NMR chem. shifts to be studied. The results compared favorably with the exptl. solid-state 15N NMR shifts. This study involved multiple reactions and reactants, such as 4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4Category: chlorides-buliding-blocks).
4,6-Dichloro-N-phenyl-1,3,5-triazin-2-amine (cas: 2272-40-4) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Category: chlorides-buliding-blocks
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics