Hetero analogs of alloxazines. 2. Structure and tautomerism of 6,8-dimethyl-7,9-dioxo-5h-6,7,8,9-tetrahydropyrimido[4,5-b][4′,5′-e][1,4]thiazines

It is demonstrated by ¹³C NMR spectroscopy that the dipyrimidothiazines that are formed in the reaction of 1,3-dimethyl-5-nitro-6-chlorouracil with 4-R-5-amino-6-mercaptopyrimidines are dipyrimido[4,5-b][4,5-e] [1,4]thiazines. The tautomeric transformations of these compounds were studied.For communication 1, see [1]Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1426–1432, October, 1992.     

Compounds with symmetrical tricobalt chains wrapped by dipyridylamide ligands and cyanide or isothiocyanate ions as terminal ligands

Three new linear compounds of the type Co(3)(dpa)(4)X(2), where dpa is the anion of di(2-pyridyl)amine and X is NCS(-) (5), CN(-) (6), and N(CN)(2)(-) (7), have been prepared, and their structures and magnetic behavior have been studied. In all of them, including three different solvates of 5, the Co(3) chains are symmetrical with Co-Co distances of ca. 2.31-2.32 A. The appearance of four lines in the (1)H NMR spectra of the three compounds is also consistent with a symmetrical structure in solution. For all compounds, the magnetic behavior is quite similar with mu(eff) of ca. 1.9-2.0 micro(B) at temperatures between 1.8 and 200 K. As the temperature increases, the effective moments increase gradually, but since saturation is not reached, even at 400 K, the high-spin state cannot be assigned.     

Sorption of Ion Associates on Polyurethane Foams and Its Application to Sorption–Spectroscopic and Test Methods of Analysis

The results of studying the sorption of various ion associates on polyurethane foams were generalized. The main sorption-affecting factors were found to be the nature, hydrophobicity, and charge of the associate ion; the nature and concentration of the counter ion; the composition of the polymer unit of the polyurethane foam; and the pH and salt composition of the aqueous phase. Correlation equations were proposed to relate the partition coefficients with the hydration energy of counter ions in the ion associates of cationic dyes and metal complexes of 1,10-phenanthroline and with the number of carbon atoms in the alkyl fragment of cationic alkyltrimethylammonium surfactants. A sorption scheme was proposed and substantiated. Examples were given of the practical use of sorption for determining anionic and cationic surfactants, phenols, 1-naphthol, Fe(III), and Ru(IV).     

Quantum-chemical Analysis of Reactions between Alkenes and Sulfenyl Chlorides. Position of Episulfuran and Tight Ion Pair on the Reaction Coordinate

In the first stage the reaction between 3,3-dimethyl-1-butene and 1-phenyl-5-tetrazolylsulfenyl chloride gives rise to intermediate of tight ion pair type that, in the course of system movement along the reaction coordinate, transforms into an intermediate species of sulfuran type or directly into an adduct. The intermediate of sulfuran type also transforms into an adduct going over the energy barrier of 40 kcal mol^-1. The formation of an episulfuran type intermediate directly from the reagents requires overcoming an energy barrier that is by 10 kcal mol^-1 higher than in going through a tight ion pair.     

Monte Carlo study of the pair correlation function for a liquid with non-central forces

The pair correlation function g(R), giving the probability that the centers of two nonspherical molecules are a distance R apart irrespective of their orientations, has been studied by the Monte Carlo method. The pair potential model studied is of the type u_o + u_a, where u_o is the isotropic Lennard-Jones (12,6) potential and u_a is either a dipole-dipole, quadrupole-quadrupole, or anisotropic overlap interaction. Dipolar and quadrupolar forces are found to have a small effect on g(R), whereas anisotropic overlap forces have a large effect.     

Reactions of hydrazine derivatives

Conditions were worked out for the synthesis of a number of 1-arylpyrazolidines with alkyl groups in the 4 and 5 positions of the five-membered ring by reduction of the corresponding 3- or 5-pyrazolidones with lithium aluminum hydride.See [1, 2] for communications XLVI And XLVII.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 118–121, January, 1971.     

Common and Specific Features of the Michael Condensation in the Series of 3-R-3H-Furan-2-ones

The Michael condensation in the series of 5-aryl-3H-furan-2-ones with chalcones containing electron-donating substituents was studied. In the case of ,-unsaturated ketones containing an electrondonating substituent, the reaction does not stop at the stage of formation of 1,5-dicarbonyl compounds but is accompanied by intramolecular cyclodehydration yielding a new series of furo[2,3-b]-4H-pyrans. A mechanism of formation of these products was suggested. The structure of reaction products was proved by IR and ¹H NMR spectroscopy.     

Synthesis ofO-methyloximes and nitrones of a series of substituted 4-[2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexylidenemethyl]-benzaldehydes and their fungicidal activity

O-Methyloximes and nitrones of a series of substituted 4-[2-hydroxy-2-(1H-1,2,4-triazol-1-ylmethyl)cyclohexylidenemethyl]benzaldehydes have been synthesized, and their fungicidal activity has been assayed. All of them exhibit low fungicidal activity in thein vitro assays and high activity in thein vivo assays; theO-methyl oximes are more active than the corresponding nitrones.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2082–2087, December, 1993.