Sulfenyl halides in the synthesis of heterocycles. 3. Interaction of perfluoro-1-ethyl-2-methyl-1-propenyl-iminochloromethanesulfenyl chloride with 1-allyl-2-methoxybenzene

Reaction of perfluoro-1-ethyl-2-methyl-1-propenyliminochloromethanesulfenyl chloride with 1-allyl-2-methoxybenzene in methylene chloride and nitromethane gives as the main products β-and β-chloro sulfides plus derivative of 2,3-dihydrobenzofuran. The reaction in nitromethane in the presence of lithium perchlorate gave a product of addition of sulfur-containing electrophiles to the double bond-a derivative of 1,3-thiazolidin-2-one-in preference to the cycloaddition product. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, 1558–1564, October, 2006.     

Synthesis and molecular structure of new acyclic analogues of nucleotides with a 1,2-alkadienic skeleton

Reaction of 1-chloro-4-(diethoxyphosphonyl)alka-2,3-dienes 14,15 with purine and pyrimidine heterocyclic bases in the presence of cesium carbonate afforded new acyclic analogues of nucleotides containing a 1,2-alkadienic skeleton 18-23. Dealkylation of 18-23 furnished phosphonic acids 2a-f. In contrast, alkylation reaction with 1-chloro-4-(diethoxyphosphonyl)octa-2,3-diene 16 led to Z- and E-1,3-alkadienic phosphonates 25a,b and 26a,b. A similar reaction with 1-chloro-4-(diethoxyphosphonyl)-2-methylbuta-2,3-diene 17 led to the elimination of hydrochloride and formation of 4-(diethylphosphonyl)-2-methylbut-1-en-3-yne 24. Molecular structures of new acyclic nucleotides 18 and 2f are determined by X-ray crystallographic analysis.     

Heterometallic zirconocene(iii) aluminum hydride complex (Cp2ZrH)2HAlCl2·C4H8O2·C6H6

The heterometallic zirconocene(iii) aluminum hydride complex (Cp₂ZrH)₂HAlCl₂·C₄H₈O₂·C₆H₆ was synthesized by reduction of Cp₂ZrCl₂ with lithium aluminum hydride in the presence of Cp₂TiBH₄ and 1,4-dioxane, and its structure was established by X-ray diffraction analysis.     

Modeling the focusing microlenses of an auger analyzer equipped with a CMA

A method for and the results from modeling a film probe-shaping lens satisfying stringent mass-dimensional requirements and intended for use as part of an Auger analyzer equipped with a CMA are presented. The optimized electron-optical characteristics of the lens (the distribution of effective potential and the geometry of the electrode space) are obtained.     

Crystal and molecular structures of diphenylethylarsine sulfide,C14H15AsS,and p-tolyldiethylarsine sulfide,C11H17AsS

In order to elucidate the influence of aryl or alkyl substituents on the nature of the ? bond, which controls the complexing properties of the substances (Alk)n(Ar)_3-nAsS (n = 0–3), the X-ray investigation of (p-MeC₆H₄)Et₃AsS (TDEAS) and Ph₂EtAsS (DPEAS) has been carried out. It was shown that the bond length AsS in these compounds has intermediate values (2.0896 and 2.0812 Å) in respect to those previously found by us in Et₃AsS and Ph₃AsS (2.115 and 2.077 Å). This confirms the conclusion that the increase of the number of aryl substituents in tertiary arsine sulfides leads to a decrease of electron density on the As atom along with simultaneous strengthening of the π-interaction between As and S.     

Efficient solutions schemes for interface problems

A computationally efficient two-level iterative scheme is proposed for the solution of the interface problems with Lagrange multipliers, where the oscillatory part of the solution is resolved by means off smoothing using a new, efficient preconditioner whereas the smooth component of the solution is captured by the collocation-based problem on the auxilliary grid, that is solved directly using a sparse direct solver. A simple adaptive feature is built into the proposed solution method in order to guarantee convergence for ill-conditioned problems. Nmerical results presented for example problems including that of a Boeing crown panel show that the proposed tww-level solution technique outperfrmsnce the standard, single level iterative and direect solvers.     

X-ray diffraction study of fluorene, 9-fluorenone, and 9-dicyanomethylenefluorene derivatives

The results of a single-crystal X-ray diffraction analysis of fluorene, 9-fluorenone, and 9-dicyanomethylenefluorene derivatives as individual compounds, as well as their crystal solvates, molecular complexes, and charge-transfer complexes, are generalized. The most interesting features of the molecular geometry and conformation and the molecular packing in the crystals are discussed. The structural formula of 95 compounds and the R factors for X-ray diffraction analysis, which characterize the reliability of determining the structure, are summarized in three tables.     

Penta‐ and hexa‐m‐phenylcyclophosphites and their derivatives

New representatives of an original class of crown ethers—cyclopenta‐ and cyclohexaresorcinolamidophosphites—were synthesized using the molecular assemblage technique. Their thio and oxo derivatives were obtained, as well as the rhodium (I) complexes. A macrocycle containing both tri‐ and pentavalent phosphorus atoms was synthesized. ¹H and ³¹P NMR spectroscopy data suggested the higher conformational flexibility of phosphite macrocycles as compared to phosphate ones. © 2000 John Wiley & Sons, Inc. Heteroatom Chem 11:129–137, 2000