Synthesis of heterocyclic compounds on the basis of carboxylic acid arylamides

The exchange and cyclization of phenyliminooxalyl chloride with ammonium thiocyanate, sodium azide, aniline, amidoximes, and diphenylthiourea, and with 2-aminopyridine, 2-aminobenzothiazole, and 2-amino- and 2-mercaptobenzimidazole were studied. The cyclization products are derivatives of thiazolidine, imidazo[1,2-a]pyridine, imidazo[2,1-b]benzothiazole, imidazo[1,2-a]benzimidazole, and thiazolo[3,2-a]benzimidazole. A trimer of 1-phenyltetrazole-5-carboxylic acid was obtained when an attempt was made to convert its azide to the corresponding isocyanate.See [1] for communication II.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 471–474, April, 1971.     

Method and apparatus for vacuum-thermic extraction (VTE) of toxic and essential elements from soils in oxidation-reduction medium in connection with analytical applications — I

A method is presented for simultaneous separation of traces of toxic and essential elements from soils. The method is based on programmed vacuum-thermic extraction of the elements in an oxidation-reduction medium. Under optimal conditions of temperature and pressure Pb, Zn, Cd, Bi, Tl, As, Sb, Te, Mo, Hg and Re are distilled or sublimated in elementary state or as oxides. A simple quartz apparatus is proposed. The elements extracted from matrix are dissolved in nitric acid and determined by AAS or OES with ICP excitation.     

Insect pheromones and their analogues. XLVI. Synthesis of 13RS-hydrooxytetradec-5Z-enoic acid — The acyclic precursor of the macrolide component of the pheromone of Cryptolestes pusillus

New routes for the synthesis of 13RS-hydroxytetradec-5Z-enoic acid — the acyclic precursor of the macrolide component of the pheromone ofCryptolestes pusillus have been developed on the basis of the readily accessible 1-methylcycloocta-1Z, 5Z-diene or isopropyl nona-3E,8-dienoate.Institute of Biological Plant Protection, Moldovian Academy of Sciences, Kishinev. Scientific-Research Institute of Forestry and Forestry Mechanization, Pushkino. Moscow Institute of Wood Technology; and Georgia Institute of Mountain Forestry, Tbilisi. Translated from Khimiya Prirodnykh Soedeninii, No. 1, pp. 150–155, January–February, 1993.     

Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors

A method is proposed for the estimation of absolute binding free energy of interaction between proteins and ligands. Conformational sampling of the protein-ligand complex is performed by molecular dynamics (MD) in vacuo and the solvent effect is calculated a posteriori by solving the Poisson or the Poisson-Boltzmann equation for selected frames of the trajectory. The binding free energy is written as a linear combination of the buried surface upon complexation, SASbur, the electrostatic interaction energy between the ligand and the protein, Eelec, and the difference of the solvation free energies of the complex and the isolated ligand and protein, deltaGsolv. The method uses the buried surface upon complexation to account for the non-polar contribution to the binding free energy because it is less sensitive to the details of the structure than the van der Waals interaction energy. The parameters of the method are developed for a training set of 16 HIV-1 protease-inhibitor complexes of known 3D structure. A correlation coefficient of 0.91 was obtained with an unsigned mean error of 0.8 kcal/mol. When applied to a set of 25 HIV-1 protease-inhibitor complexes of unknown 3D structures, the method provides a satisfactory correlation between the calculated binding free energy and the experimental pIC5o without reparametrization.     

Synthesis and transformations of metallacycles. 30. Aluminacyclopentanes in the synthesis of secondary and tertiary alcohols

A method for the synthesis of secondary and tertiary alcohols was developed. The method is based on cycloalumination of olefins with trialkylalanes in the presence of Zr-containing catalysts followed by the CuCl-catalyzed in situ reaction of the corresponding aluminacyclopentanes with aldehydes or ketones.     

Electron-impact mass spectra of nitromethylpyridines

Conclusions Under conditions of electron-impact mass spectrometry, nitromethylpyridines form molecular ions whose stability depends on the position of the substituent. The nature of the fragmentation of the molecular ions permits us to distinguish trinitromethyl from dinitromethyl substituents.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 12, pp. 2785–2787, December, 1985.     

Ylures sans sel,evolution en phosphoranes et equilibre ylure ⇌ phosphorane : I Synthese et structure

Synthesis of new salt-free ylids $\text{9}$,$\text{12}$ to $\text{16}$, $\text{19}$, $\text{20}$, $\text{22}$, $\text{27}$ and $\text{29}$ and phoiphoranes $\text{10}$, $\text{17}$, $\text{18}$, $\text{21}$, $\text{23}$, $\text{30}$ to $\text{33}$ by addition of a trivalent phosphorus compound (phosphites and amino-phosphines ) $\text{1}$ to $\text{7}$ with dimethyl acetylencedicartboxylate in presence of a protic trapping reagent are described. The results are consistent with trapping of carbanionic species. In relation with the. cyclic of acyclic structure of the triivalent phosphorus compound and the protic trapping reagent ie : methanol, phenol, carboxylic acid, etc.., several pathways are involved. Clearly), three phenomena are shown : one can obtain an ylid via a phosphorane or conversely a phosphorane via an ylid or an equilibrium Phoiphorane ? ylid. Results are dealing with thermodynamic or kinetically controlled reactions.