6533b862fe1ef96bd12c6b03

RESEARCH PRODUCT

X-ray structures of five variably tert-butoxycarbonyl-substituted adenines and their liquid and solid state NMR investigations

Arto ValkonenErkki KolehmainenSatu Ikonen

subject

Deuterium NMRCarbon-13 NMR satelliteOrganic ChemistryNuclear magnetic resonance spectroscopy of nucleic acidsNuclear magnetic resonance spectroscopyCrystal structureNuclear magnetic resonance crystallographyAnalytical ChemistryInclusion compoundInorganic ChemistryCrystallographychemistry.chemical_compoundSolid-state nuclear magnetic resonancechemistrySpectroscopy

description

Abstract Adenine reacts selectively with di- tert -butyldicarbonate in THF in the presence of NaOH to give N 9-monoBoc-adenine 1 . The molecular structure and crystal packing of this and four other variably substituted Boc-derivatives of adenine were determined in solid state by means of X-ray diffraction and CP/MAS NMR experiments and characterized in liquid state by 1 H, 13 C, and 15 N NMR spectroscopy as well. Additionally, crystal structure of inclusion compound between N 6 -monoBoc-adenine 5 and CHCl 3 is reported. Tautomeric equilibria of mono- and disubstituted derivatives 4 and 5 in liquid state were studied by VT NMR experiments.

yearjournalcountryeditionlanguage
2009-07-01Journal of Molecular Structure
https://doi.org/10.1016/j.molstruc.2009.05.006