TY  - JOUR
A1  - Lazareva, Nataliya F.
A1  - Albanov, Alexander I.
A1  - Shainyan, Bagrat A.
A1  - Kleinpeter, Erich
T1  - Synthesis and conformational properties of substituted 1,4,2-oxazasilinanes low temperature NMR study and quantum chemical calculations
JF  - Tetrahedron
N2  - A number of N-substituted 2,2-dimethyl-1,4,2-oxazasilinanes 1 were synthesized and studied by variable temperature dynamic H-1 and C-13 NMR spectroscopy, room temperature N-15 NMR spectroscopy and theoretical calculations at the DFT and MP2 levels of theory. Both the preferred conformers were assigned and the barrier to the ring inversion of the saturated six-membered ring determined. From 1 the corresponding methyl iodide salts were produced, their structure studied by X-ray analysis and found to be in excellent agreement with the results of the theoretical calculations.
KW  - 1,4,2-Oxazasilinanes
KW  - Conformational analysis
KW  - Dynamic NMR
KW  - X-ray analysis
KW  - Quantum chemical calculations
Y1  - 2012
U6  - https://doi.org/10.1016/j.tet.2011.11.077
SN  - 0040-4020
VL  - 68
IS  - 4
SP  - 1097
EP  - 1104
PB  - Elsevier
CY  - Oxford
ER  - 
TY  - JOUR
A1  - Lazareva, Nataliya F.
A1  - Shainyan, Bagrat A.
A1  - Schilde, Uwe
A1  - Chipanina, Nina N.
A1  - Oznobikhina, Larisa P.
A1  - Albanov, Alexander I.
A1  - Kleinpeter, Erich
T1  - Synthesis, molecular structure, conformational analysis, and chemical properties of silicon-containing derivatives of quinolizidine
JF  - The journal of organic chemistry
N2  - A silicon analog of quinolizidine 3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino[4,5-d][1,4,2]oxazasilin-9a-yl)methanol 3 was synthesized. X-ray diffraction analysis confirmed the trans configuration and low temperature NMR spectroscopy both the flexibility (barrier of interconversion 5.8 kcal mol(-1)) and the conformational equilibrium (chair-chair and chair-twist conformers) of the compound. The relative stability of the different isomers/conformers of 3 was calculated also at the MP2/6-311G(d,p) level of theory. Intra- and intermolecular hydrogen bonding in 3 and the appropriate equilibrium between free and self-associated molecules was studied in solvents of different polarity. Both the N-methyl quaternary ammonium salt and the O-trimethylsilyl derivative of 3 could be obtained and their structure determined.
Y1  - 2012
U6  - https://doi.org/10.1021/jo202658n
SN  - 0022-3263
VL  - 77
IS  - 5
SP  - 2382
EP  - 2388
PB  - American Chemical Society
CY  - Washington
ER  - 
TY  - JOUR
A1  - Lazareva, Nataliya F.
A1  - Albanov, Alexander I.
A1  - Shainyan, Bagrat A.
A1  - Kleinpeter, Erich
T1  - Synthesis and conformational properties of substituted 1,4,2-oxazasilinanes: low temperature NMR study and quantum chemical calculations
Y1  - 2012
UR  - http://www.sciencedirect.com/science/article/pii/S0040402011018321
U6  - https://doi.org/10.1016/j.tet.2011.11.077
ER  - 
TY  - JOUR
A1  - Kleinpeter, Erich
A1  - Lazareva, Nataliya F.
A1  - Shainyan, Bagrat A.
A1  - Schilde, Uwe
A1  - Chipania, Nina N.
T1  - Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine
Y1  - 2012
SN  - 0022-3263
ER  - 
TY  - JOUR
A1  - Lazareva, Nataliya F.
A1  - Shainyan, Bagrat A.
A1  - Kleinpeter, Erich
T1  - 4-Alkyl-2,2,6,6-tetramethyl-1,4,2,6-oxaazadisilinanes : synthesis, structure, and conformational analysis
N2  - 4-Alkyl-2,2,6,6-tetramethyl-1,4,2,6-oxaazadisilinanes RN[CH2Si(Me)2]2O [R = Me (1), i-Pr (2)] were synthesized by two methods which provided good yields up to 84%. Low temperature NMR study of compounds (1) and (2) revealed a frozen ring inversion with the energy barriers of 8.5 and 7.7 kcal/mol at 163 and 143 K, respectively, which is substantially lower than that for their carbon analog, N-methylmorpholine. DFT calculations performed on the example of molecule (1) showed that N-Meax conformer to exist in the sofa conformation with the coplanar fragment C-Si-O-Si-C, and its N-Meeq conformer in a flattened chair conformation.
Y1  - 2010
UR  - http://www3.interscience.wiley.com/cgi-bin/jhome/4569
U6  - https://doi.org/10.1002/Poc.1605
SN  - 0894-3230
ER  -