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RISMechanism and regioselectivity of 1,3-dipolar cycloaddition reactions of bicyclic monoterpenes with aryl and heteroaryl nitrile oxides: a DFT study
The reactivity and regioselectivity of 1,3-dipolar cycloaddition reactions of aryl and heteroaryl nitrile oxides (1a–1c) with bicyclic monoterpenes (R)-(+)-a-pinene (2a) and (S)-(–)-b-pinene (2b) have been investigated by using density functional...
The synthesis of 1,2-Ethanediylbis (triphenylphosphonium) ditribromideas a New Brominating Agent in The Presence of Solvents and Under Solvent Free Conditions
ionic liquid has advantages over similar brominating agents in terms of short reaction time, simple work-up, regioselectivity and high yields. Single crystal X-ray analysis of title salt, revealed that the bistriphenylphosphoniumcation is organized...
Crown Ethers As new Catalysts in the Highly Regioselective Halogenative Cleavage of Epoxides with Elemental Halogen
The regioselective ring opening halogenation of some epoxides using elemental iodine and bromine
in the presence of a series of new synthetic macrocycle diamides and also dibenzo-18-crown -6,
18-crown-6, and aza-18-crown-6 has been...
An Alternative Regioselective Approach for the Synthesis of Highly Functionalized Derivatives of Pyrazolo[5,1-b]purine Scaffold
A straightforward approach for the regioselective synthesis of highly functionalized pyrazolo[5,1-b]purine
from the annulation of 6-bromo-3-cyano-2-(ethylthio)-5-methyl-7-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidine
with thiourea as a...
Mechanism of 1,3‑ dipolar cycloaddition reactions of indan‑ 1‑ one enamines with aryl nitrile oxide: a DFT analysis
The mechanism (regioselectivity) of [3+2] cycloaddition reaction of indan-1-one enamines (1ad–1ce)
with aryl nitrile oxide (2) has been investigated by density functional theory-based reactivity indices and activation energy calculations at B...
Regioselective synthesis of 3-Benzylthiazolo [3,2-a] pyrimidones and 3-Benzyl-thiazolo [3,2-c] pyrim
The reaction of 2-(prop-2-ynylsulfanyl)pyrimidone 1 with various iodobenzenes in the presence of a palladium catalyst leads to regioselective cyclization to 3-benzylthiazolo [3,2-a] pyrimidones 3. The reaction of 4-(prop-2-ynylsulfanyl) pyrimidone 5...
The origin of regio- and stereoselectivity in 1,3-dipolar cycloaddition of nitrile oxides with C1-substituted 7- oxabenzonorbornadienes, A DFT study
through a low asynchronous one-step mechanism with none polar character. Mechanism studies display these reactions are exo-stereoselective and anti-regioselective (3X) and classified as (pseudodiradical) prtype 1,3-DC reactions. These results...
Regioselective Synthesis of Z-Aldoximes catalyzed by H3PMo12O40 Under Solvent-free conditions
Regioselective Synthesis of Z-Aldoximes catalyzed by H3PMo12O40 Under Solvent-free conditions...
CuII immobilized on guanidinated epibromohydrin functionalized g-Fe2O3@TiO2 (g-Fe2O3@TiO2-EGCuII): a novel magnetically recyclable heterogeneous nanocatalyst for the green one-pot synthesis of 1,4-disubstituted 1,2,3-triazoles through alkyne–azide cycload
CuII immobilized on guanidinated epibromohydrin functionalized g-Fe2O3@TiO2 (g-Fe2O3@TiO2-EG-CuII)
as a novel magnetically recyclable heterogeneous catalyst was synthesized and characterized by various
techniques ...
Density functional theory study of the regio- and stereoselectivity of 1,3-dipolar cycloaddition reactions between 2-ethylthio-4- phenyl-1-azetin and some substituted nitrile oxides
The mechanism (regio- and stereoselectivity) of 1,3-dipolar cycloaddition (1,3-DC) of 2-ethylthio-4-phenyl-1-azetin 1 with benzonitrile oxide 2a, 2-aminobenzonitrile oxide 2b and 2-azidobenzonitrile oxide 2c has been ...