Iranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Computational Chemistry of Anthracene (PAH) Removal by SWNT Nano-filters: DFT1021121411610.22036/org.chem..2016.14116ENLeila MahdavianDoroud Branch, Islamic Azad University, P.O. Box: 133. Doroud. IranJournal Article20150923Polycyclic aromatic hydrocarbons (such as, anthracene, benzo[a]pyrene and so on) are non-polar, hydrophobic compounds, which are not ionized. They are only slightly soluble in water. They are very dangerous compounds in the environment. The single-walled carbon nanotube (SWNT) is used for removal and conversion of anthracene to low-risk products. In this study, electron transfer between anthracene and SWNT (8,8) is evaluated through density functional approach at the level of B3LYP/6-31G. The calculation of the electronic properties shows that SWNT is very sensitive to the presence of anthracene molecule. The HOMO/LUMO and gap energy (E<sub>g</sub>) changes were considerable. According to the calculated thermodynamic parameters through the DFT method, it is expected that SWNT be a candidate in the elimination of anthracene as well as a gas sensor for its detection and conversion. Regarding the thermodynamic results, the absorption of pollutant on nano-surface of SWNT is exothermic and spontaneous. The results show that the pollutant can be reduced or eliminated from the environment by single-walled carbon nanotubes.https://www.orgchemres.org/article_14116_2fb1f2d5496510ba138cd6db5e6e7173.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Synthesis and Biological Evaluation of Novel Quinoline Derivatives as Antibacterial and Antifungal Agents1131191469410.22036/org.chem..2016.14694ENMorteza ShiriAlzahra University0000-0003-2908-3471Atefeh Nejatinejhad-AraniZeynab FaghihiSuhas A. ShintreNeil A. KoorbanallyJournal Article20160103Vilsmeier Several diamide derivatives containing 2-chloroquinoline scaffolds were synthesized <em>via</em> Ugi reaction of 2-chloroquinoline-3-carboxaldehydes, amines, carboxylic acids and isocyanides. The diversity of these quinolinyl Ugi-adducts was increased by using 2-chloroquinoline-3-carboxylic acids as a source of acid. Among them, compounds <strong>2d, 2n, 2p, 4a, 4c </strong>and<strong> 4e</strong> displayed moderate to good antibacterial and antifungal activity.https://www.orgchemres.org/article_14694_0fd624655cb72999f2f6451e54172632.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Vilsmeier-Haack Reaction with 2,3,3-Trimethyl-3H-benzo[g]indole and Its Conversion into 2-(1-aryl-1H-pyrazol-4-yl)-3,3-dimethyl-3H-benzo[g]indoles1201261482410.22036/org.chem..2016.14824ENMohsen KhezriDepartment of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, IranArash AfghanUrmia University of Technology, Urmia, IranLaya RoohiDepartment of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, IranMohammad Mehdi BaradaraniDepartment of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, IranJournal Article20151120Vilsmeier-Haack reaction of 2,3,3-trimethyl-3<em>H</em>-benzo[<em>g</em>]indole, then aqueous basic work-up, leads to benzo[g]indol-2-ylidene- malondialdehydes. These react with various arylhydrazines and quinolin-2-ylhydrazine to form 3,3-dimethyl-2-(1-aryl-1<em>H</em>-pyrazol-4-yl)- 3<em>H</em>-benzo[<em>g</em>]indoles in good yields.https://www.orgchemres.org/article_14824_22e2019f87556f9db5a498c7ae9b8bbe.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901An Efficient Synthesis of 3,4-Dihydropyrimidin-2-(1H)-one Derivatives Promoted by Antimony Trichloride under Thermal and Solvent-free Conditions1271331489210.22036/org.chem..2016.14892ENFarzaneh MohamadpourDepartment of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, IranMalek Taher MaghsoodluSistan &amp; Baluchestan University, Zahedan, IRANReza HeydariDepartment of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, IranMojtaba LashkariDepartment of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, IranJournal Article20151012An efficient and simple one-pot approach for the synthesis of 3,4-dihydropyrimidin-2-(1<em>H</em>)-one derivatives using antimony trichloride (SbCl<sub>3</sub>) as a mild catalyst by means of three-component Biginelli reaction between β-keto esters, aldehyde derivatives and urea/thiourea under thermal and solvent-free conditions with excellent yields and short reaction times is reported. This methodology offers several merits such as excellent yields, short reaction times, efficient, eco-friendly, solvent-free conditions, materials available, and simple operational procedure with no column chromatographic separation. The products are characterized by melting points and <sup>1</sup>H NMR spectroscopy.https://www.orgchemres.org/article_14892_8e4c06b2464d3c3f778157e5ac178677.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Ultrasound-assisted Method for the Synthesis of 3-Methyl-4-arylmethylene Isoxazole-5(4H)-ones Catalyzed by Imidazole in Aqueous Media1341391534710.22036/org.chem..2016.15347ENJavad SafariLaboratory of Organic Chemistry Research, Department of Organic Chemistry, College of Chemistry, University of Kashan, 87317-51167 Kashan, I.R, IranMajid AhmadzadehLaboratory of Organic Chemistry Research, Department of Organic Chemistry, College of Chemistry, University of Kashan, 87317-51167 Kashan, I.R, Iran.Zohre ZarnegarUniversity of KashanJournal Article20160414In the present study, an attempt has been made to synthesize 3-methyl-4-arylmethylene isoxazole-5(4<em>H</em>)-one derivatives through sonication of hydroxylamine hydrochloride, ethyl acetoacetate and benzaldehyde derivatives in the presence of imidazole as a novel and effective catalyst in aqueous media. This green reaction under ultrasound irradiation has advantageous compared to conventional procedures in view of its shorter reaction times, high isolated yields, avoidance of using organic solvents, simple experimental procedure and workup and energy conservation. A combination of the advantages of ultrasound irradiation, homogeneous catalyst and aqueous media provides an important methodology for carrying out catalytic transformations.https://www.orgchemres.org/article_15347_5f4c0968fb8652baf9cccd9809011d62.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Tungstophosphoric Acid Supported on Silica-encapsulated γ-Fe2O3 Nanoparticles Catalyzed Oxidative Amidation1401471551910.22036/org.chem..2016.15519ENMeghdad KarimiTarbiat Modares University-Tehran_IranAthar NakisaTarbiat Modares University-Tehran_IranKobra AziziTarbiat Modares University-Tehran, IranAkbar HeydariTarbiat Modares University-Tehran_IranJournal Article20151218We have used tungestophosphoric acid to catalyze oxidative amidation reaction from benzyl alcohols and methylarens with hydrochloride salts of amines. To achieve this purpose, modified magnetic nanoparticles (γ-Fe<sub>2</sub>O<sub>3</sub>@SiO<sub>2</sub>@H<sub>3</sub>PW<sub>12</sub>O<sub>40</sub>) were applied as catalyst and TBHP as external oxidant. After optimizing, different derivates of benzamides were synthesized in good yields. Also, the result of two oxidative amidation reactions was compared.https://www.orgchemres.org/article_15519_d81b7d3a9d31e9bb581795c2e5804808.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Synthesis of Bis-4-hydroxycoumarins via a Multi Component Reaction Using Silica Boron-sulfuric Acid Nanoparticles (SBSANs) as an Efficient Heterogeneous Solid Acid Catalyst1481611554310.22036/org.chem..2016.15543ENHabib Ollah ForoughiDepartment of scince, Islamic AZad University, Fasa branchAli Khalafi-NezhadDepartment of Chemistry, Shiraz University, Shiraz,71454, I.R.IranJournal Article20160323The silica boron sulfuric acid nanoparticles (SBSANs) as an efficient heterogeneous solid acid catalyst with both Brønsted and Lewis acidic sites catalyzed the preparation of bis-4-hydroxycoumarin derivatives using reaction of aldehydes and 4-hydroxycoumarin under mild and solvent-free condition at room temperature. This new and efficient methodology has advantages in comparison with currently used methods such as: easy work-up, simple separation of catalyst from the reaction mixture, reusability and lower catalyst loading, relatively short reaction time, eco-friendly with environment, excellent yields, simple purification of products and mild reaction condition. Using this method a range of biologically active bis-4-hydroxycoumarin derivatives were synthesized in good to excellent yield. The catalyst system was reusable at least for 5 times in this reaction without significant decreasing in its catalytic activity.https://www.orgchemres.org/article_15543_af8aad6b543e55d6533701e9cf79babf.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Fe2+ Supported on Hydroxyapatite-core-shell-γ-Fe2O3 Nanoparticles as an Inexpensive and Magnetically-recoverable Catalyst for Rapid Synthesis of Benzimidazoles and Benzoxazole Derivatives1621711554410.22036/org.chem..2016.15544ENSobhan RezayatiIslamic Azad UniversityZahra AbbasiChemistry Department, College of Science Shahid Chamran University, Ahvaz, IranEshagh Rezaee NezhadDepartment of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranRahimeh HajinasiriChemistry Department, Qaemshahr Branch, Islamic Azad University, P.O. Box 163, Qaemshahr, IranShahin Soleymani Chalanchi1Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, IranJournal Article20160316A simple and facile method for the preparation ofFe<sup>2+</sup> supported on hydroxyapatite-core-shell-γ-Fe<sub>2</sub>O<sub>3</sub> nanoparticles (γ-Fe<sub>2</sub>O<sub>3</sub>@HAp-Fe<sup>2+</sup> NPs) as an environmentally friendly and recyclable green catalyst is described and used for the one-pot synthesis of benzimidazoles and benzoxazole derivatives via reactions between aromatic aldehydes and ortho‐phenylenediamine or ortho‐aminophenol in aqueous media conditions at room temperature. This green method offers significant advantages in terms of its simplicity, very low loading of catalyst, high catalytic efficiency, good to excellent product yields, short reaction time, simple experimental and work-up procedure. Also, after the reaction, γ-Fe<sub>2</sub>O<sub>3</sub>@HAp-Fe<sup>2+</sup> NPs can be easily recovered and reused for at least ten runs. This magnetic nanoparticle was characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscope (SEM) and vibrating sample magnetometry (VSM) spectra.https://www.orgchemres.org/article_15544_f83d3d8bc33a5f0a31faf7c4d29da071.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Ultrasound Promoted Efficient Synthesis of some Amides from Nitriles in Ambient Condition1721761554510.22036/org.chem..2016.15545ENReza Ranjbar-KarimiVali-e-Asr UniversityFahimeh BahadorniaVali-e-Asr UniversityAlireza PoorfreidoniVali-e-Asr University of RafsanjanJournal Article20160425 Some amide derivatives have been synthesized by the reaction of corresponding nitriles with potassium <em>tert</em>-butoxide as a nucleophilic oxygen source under ultrasonic irradiation. This new methodology provides good to excellent yields in short reaction times (15-90 min) at room temperature.https://www.orgchemres.org/article_15545_e1f41a3b93f98fec63f1f0fe1ee23126.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Magnesium Oxide Nanoparticles for Catalytic Synthesis of 2-Substituted Alcohols from Regioselective Ring Opening of Epoxides in Water1771911581310.22036/org.chem..2016.15813ENMona Hosseini-SarvariShiraz UniversityGolnaz ParhizgarJournal Article20160410Epoxides undergo regioselective ring opening with various nucleophiles using catalytic amount of nano magnesium oxide and water as solvent under mild reaction conditions. The remarkable features of this method are improved yields, high regioselectivity, and green chemistry agreement.https://www.orgchemres.org/article_15813_8f08ee383da7cd4bf98869e0e53b7fbb.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Synthesis and Pesticide Activity of some New Arylic and Pyridylic Oxime Ether Derivatives of Ionone1921961581410.22036/org.chem..2016.15814ENMotahareh IraniVali-e-Asr UniversityReza Ranjbar-KarimiVali-e-Asr UniversityHamzeh Izadivali-e-Asr universityJournal Article20151011Some oxime ether derivatives of α-ionone (4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one) have been synthesized. Reaction of 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-ketoxime with various chloro and fluoro aromatic and hetero aromatic compounds gave the corresponding oxime ether derivatives <em>via</em> aromatic nucleophilic substitution (S<sub>N</sub>Ar). The structures of these compounds were elucidated by IR, <sup>1</sup>H NMR, <sup>19</sup>F NMR and <sup>13</sup>C NMR spectroscopic methods. All the compounds were screened <em>in vitro</em> against the common <em>pistachio psylla</em>,<em> Agonoscena pistaciae</em>,<em> fifth instar nymphs</em>. Results showed that compound 3c (LC50 value of 227.76 mg l<sup>-1</sup>) was much more toxic to <em>fifth instar nymphs </em>ofcommon <em>pistachio psylla</em> than compound 3a (LC50 = 1539.14 mg l<sup>-1</sup>) and compound 3f (LC50 = 569.319 mg l<sup>-1</sup>).https://www.orgchemres.org/article_15814_a7f584b094a14a2bc1436cc032f4718c.pdfIranian Chemical SocietyOrganic Chemistry Research2383-242X2220160901Design, Characterization and Application of SO3H-Functionalized Phthalimide as a Highly Efficient Catalyst for the Condensation of Dimedone with Arylaldehydes, β-Ketoesters and Ammonium Acetate1972071760210.22036/org.chem..2016.17602ENZahra KordrostamiinterestJournal Article20160512In this work, SO<sub>3</sub>H-functionalizedphthalimide (SFP) as a SO<sub>3</sub>H-containing solid acid is prepared by the reaction of phthalimide with chlorosulfonic acid, and characterized by FT-IR, <sup>1</sup>H and <sup>13</sup>C NMR, Mass, TG, DTG, XRD and SEM. Then, it is utilized as a highly efficient, heterogeneous and green catalyst for the one-pot multi-component condensation of dimedone with arylaldehydes, β-ketoesters and ammonium acetate under solvent-free conditions to afford polyhydroquinolines in excellent yields and in short reaction times.https://www.orgchemres.org/article_17602_f3c5bd23ec787ab62bb43e75157d7326.pdf