Sharif Digital Repository

Benzopyrans, or chromenes, are widespread in nature and are considered to be a privileged scaffold in medicinal chemistry. Herein, we report the first organocatalyzed asymmetric synthesis of chiral benzopyrans. The benzopyran unit is constructed through a domino reaction involving an oxa-Michael attack of salicylic aldehyde derivatives onto α,β-unsaturated aldehydes, activated through iminium-ion formation with the organocatalyst, followed by an intramolecular aldol reaction and subsequent elimination of water. This overall reaction sequence provides benzopyrans with aromatic C-2 substituents in up to 60% yield and 60% enantioselectivity, while C-2 aliphatic analogues can be obtained in 90%... 

Various thioamides, especially thiobenzanilides and thioacetomorpholides, bearing a heterocycle ring were efficiently prepared by a modified Willgerodt-Kindler reaction of quinaldine and α- and γ-picoline with anilines and morpholine in the presence of sulfur, and a catalytic amount of DABCO under microwave irradiation  

The solid LiClO4-mediated one-pot reaction of aldehydes with secondary amines and C nucleophiles afforded the corresponding aminoalkylation products in high yields. Unlike the previous reported procedure, the aminoalkylation of aldehyde was achieved in the presence of only 0.5 equivalents of solid lithium perchlorate in dichloromethane as the solvent with good to high yields at room temperature. © Springer-Verlag 2003  

Nitriles are efficiently transformed to thiomorpholides via the Willgerodt-Kindler reaction under microwave irradiation in solvent-free conditions  

The α-hydroxy phosphonates are readily prepared by treating aromatic or aliphatic aldehydes and ketones with trialkylphosphite in the presence of trimethylsilylchloride in a very short time and in almost quantitative yields  

The energetics of the adsorption and decomposition of ammonia on Nb(100) surface was investigated by the method of unity bond index-quadratic exponential potential (UBI-QEP). The experimental as well as theoretically derived atomic heats of adsorption were used as the input data and the results were compared with the findings of local density functional theory (LDFT) and non-local density functional theory (NLDFT). The method was capable of correctly predicting the fragmentation of ammonia on 4-fold hollow sites on the surface of Nb(100) and magnitudes of the heats of adsorption and activation energies were more realistic  

A three-component reaction between an aldehyde, metallated hexamethyldisilazane and a functionalized organozinc compound proceeded smoothly in the presence of LiClO4 in diethyl ether to afford primary amino esters in good yields  

A new route to the soluble guanylate cyclase (sGC) activator YC-1 and its N2 regioisomer has been established with a Mitsunobu mediated N-alkylation as the key step. The route is utilised in the synthesis of a potential photoaffinity label  

An efficient heterogeneous palladium catalyst system has been developed based on immobilization of Pd nanoparticles on silica-bonded N-propylpiperazine (SBNPP) substrate. SBNPP substrate can stabilize the Pd nanoparticles effectively so that it can improve their stability against aggregation. Also, grafted piperazine species onto the silica backbone prevents the removing of Pd nanoparticles from the substrate surface. It seems that the high recyclable capability of Pd-SBNPP catalysts is resulted from these two characteristics. Transmission electron microscopy (TEM) of catalyst is shown the size of Pd nanoparticles in Pd-SBNPP average of 20 nm. Furthermore, X-ray photoelectron spectroscopy... 

The system, Pd(OAc)2/imidazolium salts (L2), was found as an efficient catalyst in the Heck coupling reaction of olefins with aryl halides and Suzuki reactions of various aryl halides with aryl boronic acids under aerobic condition. This catalytic system demonstrates great tolerance to a wide range of groups on all substrates of aryl halides, alkenes and aryl boronic acids  

Dithiocarbamic acids and thiols are employed in the Bargellini reaction to generate useful intermediates for the synthesis of organic molecules. This is the first time that dithiocarbamic acids are used as nucleophile in this reaction  

A method is developed for in situ generation of 1,3-dioxan-5-one derivatives 2. These compounds are simple precursors for accessing carbohydrate structures and previously had to be produced via stepwise procedures using excessive amounts of reagents. In the present work, three different derivatives of 2 were synthesized via the reaction of trialkoxyalkanes with dihydroxyacetone dimer 1 in the presence of acetic acid as the catalyst. In the same pot, derivatives of 2 were reacted with aromatic aldehydes and 30 mol% of pyrrolidine to obtain high yields of the respective bischalcones 3 within short time periods. © 2019 M. Javad Poursharifi et al., published by De Gruyter 2019  

Single-phase Tm(Ba2-xPrx)Cu3O 7+δ and Lu(Ba2-xPrx)Cu3O 7+δ compounds with Pr content 0.0 ≤ x ≤ 1.0 have been prepared by solid-state reaction technique. The oxygen content of our samples is more than 7. X-ray diffraction (XRD) patterns demonstrate an orthorhombic to tetragonal transition with an increase in Pr content in both systems. For each system, a solubility limit exists for substitution of Pr at the Ba site. The intergrain region investigated by the thermally activated flux creep (TAFC) and Ambegaokar-Halperin (AH) models, show that the pinning energy decreases with increasing Pr content; it also decreases in each sample with increasing magnetic field as a power-law relation. The... 

The gas-phase kinetics of diallyl sulfide pyrolysis were studied experimentally and theoretically in a static system over the temperature range 433-463 K and a total pressure of 80 Torr in a glass vessel with the free radical inhibitor cyclohexene. The experimental results show that this reaction is homogeneous, unimolecular and follows a first-order rate law. Theoretical studies at the B3LYP/6-31G* computational level indicate that the elimination reaction proceeds through a six-centered cyclic transition state and the reaction mechanism is concerted and non-synchronous. Copyright © 2003 John Wiley & Sons, Ltd  

Palladium nanoparticles supported on polyoxometalate as a solid carrier were successfully prepared and evaluated as a heterogeneous nanocatalyst for the Mizoroki-Heck cross-coupling reactions. This supported catalyst was characterized by a set of techniques, including XRD, chemical analysis (ICP-OES), IR spectroscopy, TEM and FE-SEM analyses. Poly (ethylene glycol) was employed as an environmentally friendly solvent for coupling reactions. The various fundamental reaction parameters that influence the efficiency of the reaction and yield of the desired reaction products were optimized. This catalytic system showed good activities and evolve a strategy for achieving five times catalyst and... 

One of the main challenges in diffusion-based molecular communication is dealing with the non-linearity of reaction-diffusion chemical equations. While numerical methods can be used to solve these equations, a change in the input signals or the parameters of the medium requires one to redo the simulations. This makes it difficult to design modulation schemes and practically impossible to prove the optimality of a given transmission strategy. In this paper, we provide an analytical technique for modeling the non-linearity of chemical reaction equations based on the perturbation method. The perturbation method expresses the solution in terms of an infinite power series. An approximate solution... 

One of the main challenges in diffusion-based molecular communication is dealing with the non-linearity of reaction-diffusion chemical equations. While numerical methods can be used to solve these equations, a change in the input signals or the parameters of the medium requires one to redo the simulations. This makes it difficult to design modulation schemes and practically impossible to prove the optimality of a given transmission strategy. In this paper, we provide an analytical technique for modeling the non-linearity of chemical reaction equations based on the perturbation method. The perturbation method expresses the solution in terms of an infinite power series. An approximate solution... 

Platinum extraction from spent reforming catalysts in iodine solutions under atmospheric pressure and at temperatures up to 95°C was previously investigated in our group. In this system, platinum is oxidized from the spent catalyst with tri-iodide. In some of the experiments, it was observed that platinum extraction peaked and then decreased. This indicates that a precipitation reaction slowly occurs that removes the dissolved Pt ions from the solution. Power-law rate equation for the Pt extraction to PtI6 2- and the precipitation of the dissolved platinum to PtI 4(s) was implemented to model the experimental Pt extraction data. The activation energies for the platinum dissolution reaction... 

A two-dimensional non-isothermal mathematical model has been developed for the ethane dehydrogenation reaction in a fixed-bed catalytic membrane reactor. Since ethane dehydrogenation is an equilibrium reaction, removal of produced hydrogen by the membrane shifts the thermodynamic equilibrium to ethylene production. For further displacement of the dehydrogenation reaction, oxidative dehydrogenation method has been used. Since ethane dehydrogenation is an endothermic reaction, the energy produced by the oxidative dehydrogenation method is consumed by the dehydrogenation reaction. The results show that the oxidative dehydrogenation method generated a substantial improvement in the reactor... 

Conjugated linoleic acid (CLA) is one of the most physiological active fatty acids due to its positive effect on prevention of diseases such as obesity, hyperlipidemia, atherosclerosis and cancer. The aim of this study was to optimize the production of conjugated linoleic acid (CLA)% in alkali isomerization of safflower oil including 71% linoleic acid (LA) using response surface methodology (RSM). The effect of three reaction variables such as temperature, reaction time and amount of KOH on CLA production was investigated using design-expert software. The optimal condition determined at this point, 72% total CLA with the yield of 84% temperature reaction time and the amount of KOH were 187.6...