Ludmila I. Larina

The effects of intramolecular and intermolecular coordination on 31P nuclear shielding: phosphorylated azoles

The effects of intramolecular and intermolecular coordination on 31P nuclear shielding have been investigated in the series of tetracoordinated, pentacoordinated and hexacoordinated N‐vinylpyrazoles and intermolecular complexes of N‐vinylimidazole and 1‐allyl‐3,5‐dimethylpyrazole with phosphorous pentachloride both experimentally and theoretically. It was shown that either intramolecular or intermolecular coordination involving phosphorous results in a dramatic 31P nuclear shielding amounting to approximately 150 ppm on changing the phosphorous coordination number by one. A major importance of solvent effects on 31P nuclear shielding of intramolecular and intermolecular complexes involving N → P coordination bond has been demonstrated. It was found that the zeroth‐order regular approximation–gauge‐including atomic orbital–B1PW91/DZP method was sufficiently accurate for the calculation of 31P NMR chemical shifts, provided relativistic corrections are taken into account, the latter being of crucial importance in the description of 31P nuclear shielding. Copyright

Alkylation of imidazole and benzimidazole derivatives with 1-(iodomethyl)-1,1,3,3,3-pentamethyldisiloxane – a new method for the preparation of organocyclosiloxane iodides

The reaction of imidazole and benzimidazole derivatives with 1-(iodomethyl)-1,1,3,3,3-pentamethyldisiloxane resulted in N1,3-alkylation, cleavage of siloxane bonds by the evolved hydrogen iodide, and the formation of cyclic organosilicon iodides and triiodides.

Synthesis of annulated heterocyclic systems based on 2-mercaptoimidazoline and α-iodo ketones

The reaction of 2-mercaptoimidazoline with 1-iodopropan-2-one or 1,3-diiodopropan-2-one in the absence or in presence of iodine allowed to synthesize new types of annulated heterocyclic systems in one preparative step.

Annulation of tetrahydro-2-pyrimidinone with α-iodo ketones

The first annulated heterocyclic derivatives of tetrahydro-2-pyrimidin-2(1H)-one were synthesized in one preparative step on the basis of a solventless three-component reaction of tetrahydro-2-pyrimidin-2(1H)-one with 1-iodopropan-2-one, 2-iodo-1-phenylethan-1-one, 2-iodo-1-(thiophen-2-yl)ethan-1-one, or 1,3-diiodopropan-2-one and elemental iodine in the absence of a base.