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دسترسی آزاد مقاله
1 - NMR and NBO Calculation of Broccoli Calm: Nano Physical Parameter Study
M. Monajjemi M. AhmadianarogSulforaphane, an isothiocyanate found in broccoli and other cruciferous vegetables. it is an antioxidantand anti-cancer agent, and reduces blood pressure, and also has anti-allergic Effects.In this article, six theoretical methods have been used for calculation of physi چکیده کاملSulforaphane, an isothiocyanate found in broccoli and other cruciferous vegetables. it is an antioxidantand anti-cancer agent, and reduces blood pressure, and also has anti-allergic Effects.In this article, six theoretical methods have been used for calculation of physical parameters insolforaphane and several similar compounds. We calculated physical parameters like atomic charges.energy (AE) , chemical shift anisotropy (5) , asymmetry parameter (T) , chemical shift anisotropy(An) , dipole moment , isotropic , anisotropic , NMR determinant and distance matrix determinant,and in this work we used Gaussian 98 at NMR and natural bond orbital( NBO) calculation by usingHF method with 6-31G,6-31G* and 6-31+G basis set and B3LYP , BLYP and B3PW9 I methodswith 6-31G basis set. The CIAO magnetic shielding for studied molecules was obtained by usingGauss view program. Chemical shift curve was drawn for all of the atoms in each molecular. پرونده مقاله -
دسترسی آزاد مقاله
2 - Application of ZnO Nanorods for the Synthesis of Thiazole Derivatives via Multicomponent Reactions in Water
Ali Varasteh MoradiSimple three-component reactions between dialkyl acetylenedicarboxylate, primary amines and isothiocyanates in the presence of catalytic amount of ZnO nanorods are investigated in water at room temperature which produced thiazole derivatives in good yields.Simple three-component reactions between dialkyl acetylenedicarboxylate, primary amines and isothiocyanates in the presence of catalytic amount of ZnO nanorods are investigated in water at room temperature which produced thiazole derivatives in good yields. پرونده مقاله -
دسترسی آزاد مقاله
3 - Green synthesis of oxazole triazole derivatives: Application of Fe3O4@MWCNT MNCs
Samaneh Sadat Sharifi Seyyed Jalal Shams Najafi Majid Ghazanfarpour1,3-oxazole derivatives were prepared via multicomponent reaction of α-bromo ketones, acid chlorides andammonium thiocyanate in the presence of catalytic amount of Fe3O4@MWCNT MNCs in water at 50oC in good yields. Also, the reaction of alkyl (aryl) isothiocyanates چکیده کامل1,3-oxazole derivatives were prepared via multicomponent reaction of α-bromo ketones, acid chlorides andammonium thiocyanate in the presence of catalytic amount of Fe3O4@MWCNT MNCs in water at 50oC in good yields. Also, the reaction of alkyl (aryl) isothiocyanates and -bromo ketones in the presence of catalytic amount of Fe3O4 MNPs in water at 50oC are investigated. The catalyst was reused five times with minor decrease in its catalytic activity. In addition, high yields, easy procedure, easy separation of catalyst from the mixture of reactions are the advantages of these reactions. پرونده مقاله -
دسترسی آزاد مقاله
4 - Catalyst-free synthesis of aminothiazole derivatives in water
Mahboubeh Ghasemian Dazmiri Narges Ghasemi Annataj NoushinFunctionalized aminothiazole are generated from the reaction of dimethyl acetylenedicarboxylate, benzoylisothiocyanates, primary amines, hydrazonoyl chloride and triphenylphosphine in water. Particularly valuable features of this method include high yields of products, چکیده کاملFunctionalized aminothiazole are generated from the reaction of dimethyl acetylenedicarboxylate, benzoylisothiocyanates, primary amines, hydrazonoyl chloride and triphenylphosphine in water. Particularly valuable features of this method include high yields of products, broad substrate scope, short reaction time and straightforward procedure. پرونده مقاله -
دسترسی آزاد مقاله
5 - Green synthesis of imidazole derivatives using multicomponent reactions
Narges GhasemiAn efficient synthesis of functionalized imidazoles via a one-pot reaction between ninhydrin, primary alkylamines, arylisothiocyanates, acetylenic esters and N-formylmorpholine as green solvent is described.An efficient synthesis of functionalized imidazoles via a one-pot reaction between ninhydrin, primary alkylamines, arylisothiocyanates, acetylenic esters and N-formylmorpholine as green solvent is described. پرونده مقاله
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