Interaction of aminoazoles with Meldrum’s acid and dialkyl ketones or cyclohexanone

Interaction of 3-amino-5-methylpyrazole, 3-amino-5-methylthio-, and 3,5-diamino-1,2,4-triazole with Meldrum’s acid, acetone, ethyl methyl ketone, and cyclohexanone leads to alkyl-substituted pyrazolo[3,4-b]pyridin-6-ones and 1,2,4-triazolo[1,5-a]pyrimidin-7-ones respectively. The structure of 5,5-dimethyl-2-methylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1,5-a]pyrimidin-7-one was demonstrated by an X-ray structural investigation. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 4, pp. 595–601, April, 2007.     

Study of the acylation reaction of 2,6-dimethyl-3,5-pyridinedicarboxylic acid hydrazides

Acylation of 3-ethoxycarbonyl-2,6-dimethyl-5-pyridinecarboxylic acid hydrazide and 2,6-dimethyl-3,5-pyridinedicarboxylic acid dihydrazide using aromatic acid chlorides gave the corresponding N-aroyl hydrazides. It was found that the hydrazinolysis of 3-ethoxycarbonyl-2,6-dimethyl-5-pyridinedicarboxylic acid N-aroyl hydrazides occurred not at the ester group but as a rehydrazinolysis reaction at the dihydrazide fragment. __________ Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1834–1845, December, 2005.     

2-(2-ARYL-2-OXOETHYL)-4H-BENZO-1,4-THIAZIN-3-ONES AS PRODUCTS OF THE REACTION OF 2-AMINOTHIOPHENOL WITH β-AROYLACRYLIC ACIDS

Interaction of 2-aminothiophenol with β-aroylacrylic acids and their dibromo derivatives led to 2-(2-aryl-2-oxoethyl)-4H-benzo-1,4-thiazin-3-ones. The structure of synthesized compounds was confirmed by IR, ¹H, and ¹³C NMR spectra and X-ray analysis.     

Interaction of 2-chloroquinoline- 3-carbaldehydes with 2-hetaryl- acetonitriles

The interaction of 2-chloroquinoline-3-carbaldehydes with 1H-benzimidazol-2-ylacetonitriles and 1-benzyl-1H-imidazol-2-ylacetonitrile has been studied. It was shown that products of condensation at the methylene group are formed under mild conditions. Carrying out the reaction under more forcing conditions leads to an intramolecular nucleophilic substitution of the chlorine atom and the formation of cyclic ionic compounds (in the case of N-substituted hetarylacetonitriles), which are subsequently dealkylated.     

The C-Cl···π interactions inside supramolecular nanotubes of hexaethynylhexamethoxy[6]pericyclyne

Model complexes of hexaethynylhexamethoxy[6]pericyclyne (HM6P) molecules, with or without dichloromethane (DCM) guests, have been calculated at the M05-2X/6-311G(d,p) DFT level. Analysis of nonbonding interactions shows that the cohesion of the supramolecular tubular assemblies previously observed in the crystal state, relies mainly on C-H···O hydrogen bonds between axial ethynyl and equatorial methoxy substituents of stacked HM6P C(18) macrocycles in a cyclohexane-like chair conformation. The intrinsic binding energy of one HM6P molecule with two neighbors is calculated to be more than 40 kcal mol(-1). The inner channel of the stacks (of ca. 8 ? diameter) are suitable for hosting DCM molecules. Using the Atoms In Molecules (AIM) theory, the interaction between DCM molecules and surrounding triple bonds is analyzed in terms of σ-hole-directed C-Cl···π halogen bonds. A σ-hole-directed Cl···Cl interaction between two chlorine atoms of different DCM molecules is also evidenced.     

Y2O2S∶Er3+，Yb3+的制备及Er3+离子在晶场中的能级分裂

采用沉淀法制备前驱体,通过不同温度合成了上转换发光材料Y2O2S∶Er3+,Yb3+,运用XRD,SEM和上转换发射光谱对其进行表征。结果表明,所合成的Y2O2S∶Er3+Yb3+属于六方晶系晶体,随着合成温度的升高,产物的粒径不断增大,上转换发射光强度逐渐增加。研究Y2O2S∶Er3+Yb3+的上转换发光过程,红光发射和绿光发射分别源于Er3+离子的4F9/2→4I15/2以及2H11/2→4I15/2,4S3/2→4I15/2能级跃迁。利用群论计算了晶场中Er3+离子的能级分裂数目。     

A novel synthesis and transformations of isothiochroman 2,2-dioxide

A convenient synthesis of isothiochromen-4-one 2,2-dioxide was carried out via cyclisation of o-cyanobenzyl thioacetate by a Thorpe reaction. The reactions of isothiochromen-4-one 2,2-dioxide with nitrogen-containing nucleophilic reagents have been investigated.     

Molecular Structure of 1-Ethyl-4-hydroxy-N-(6-hydroxybenzothiazolyl-2)-2-oxo-1,2-dyhydroquinoline-3-carboxamide

X-ray diffraction analysis of 1-ethyl-4-hydroxy-N-(6-hydroxybenzothiazolyl-2)-2-oxo-1,2-dihydroquinoline-3-carboxamide has been performed. In crystal, the compound exists as a 2-oxo-4-hydroxy tautomer.