Convenient one-step Synthesis of Substituted Pyrano[2,3-c]isoquinoline (2-amino-4H-chromenes) via three Component Reaction between Alkyl isocyanides and Dialkyl Acetylenedicarboxylate in the presence of 3-Hydroxyisoquinoline

The reactive intermediate generated by the addition of alkyl isocyanides to dialkyl acetylenedicarboxylate are trapped by 3-hydroxyisoquinoline to produce highly functionalized 4H-chromenes in 83-92% yields

A three-component synthesis of functionalized ketenimines by the reaction of alkyl isocyanides and dialkyl acetylenedicarboxylates in the presence of 2-quinolinol

The 1:1 reactive intermediates generated by the addition of alkyl isocyanides to dialkyl acetylenedicarboxylates were trapped by 2-quinolinol to yield highly functionalized ketenimines and, in some cases, minor amounts of 1-azabuta-1,3-dienes

An efficient synthesis of dialkyl 2-((alkyl­imino)­methylene)-3-(2-methyl-4-oxo­quino­lin-1(4<i>H</i>)-yl)succinate through three component reaction of alkyl isocyanides, dialkylacetylenedicarboxylate and 2-methyl-4-hydroxyquinoline

1232-1235The 1:1 reactive intermediates generated by the addition of alkyl isocyanides to dialkylacetylenedicarboxylatesare trapped by 2-methyl-4-hydroxyquinoline to yield highly functionalized ketenimines

Synthesis of Aza Coumarines by Nucleophilic Addition of Acetylenic Esters Catalysed by Ph3P

3-Hydroxypyridine undergoes a smooth reaction with dialkyl acetylenedicarboxylates in the presence of triphenylphosphine to produce alkyl 2-oxo-2H-pyrano[3,2-b]pyridine-4-carboxylate and dialkyl -2-[4-(alkoxycarbonyl)-2-oxo-2-H-pyrano[3,2-b]pyridin-6-yl]-2-butenedioate in high yields. (doi: 10.5562/cca1725

Computational investigation of the solvent and temperature effects on the tautomerization of 7-amino-1,3-dioxo-2,5-diphenyl-2,3-dihydro-1H, 5H-pyrazolo[1,2-a][1,2,4]triazole-6-carbonitrile

617-622This research examines the effects of solvent polarity and temperature on the tautomerization of 7-amino-1,3-dioxo-2, 5-diphenyl-2,3-dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-6-carbonitrile at CAM-B3LYP/6-311G (d,p) level of theory. The selected solvents are n-hexane, diethyl ether, pyridine, ethanol, methanol, and water. The solvent effects have been examined by the self-consistent reaction field theory (SCRF) based on conductor-like polarizable continuum model (CPCM). The solvent effects have been explored on the energy barrier, frontier orbitals energies, and HOMO-LUMO gap. Dependencies of thermodynamic parameters (G andH) on the dielectric constants of solvents have also been tested. Specifically, the temperature dependencies of the thermodynamics parameters have been studied within 100-1000 K range. The rate constant of the tautomerism reaction is computed from 300 to 1200 K, in the gas phase

Computational investigation of the solvent and temperature effects on the tautomerization of 7-amino-1,3-dioxo-2,5-diphenyl-2,3-dihydro-1H, 5H-pyrazolo[1,2-a][1,2,4]triazole-6-carbonitrile

This research examines the effects of solvent polarity and temperature on the tautomerization of 7-amino-1,3-dioxo-2, 5-diphenyl-2,3-dihydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-6-carbonitrile at CAM-B3LYP/6-311G (d,p) level of theory. The selected solvents are n-hexane, diethyl ether, pyridine, ethanol, methanol, and water. The solvent effects have been examined by the self-consistent reaction field theory (SCRF) based on conductor-like polarizable continuum model (CPCM). The solvent effects have been explored on the energy barrier, frontier orbitals energies, and HOMO-LUMO gap. Dependencies of thermodynamic parameters (DG andDH) on the dielectric constants of solvents have also been tested. Specifically, the temperature dependencies of the thermodynamics parameters have been studied within 100-1000 K range. The rate constant of the tautomerism reaction is computed from 300 to 1200 K, in the gas phase