Computational Chemistry of Anthracene (PAH) Removal by SWNT Nano-filters: DFT
Leila
Mahdavian
Doroud Branch, Islamic Azad University, P.O. Box: 133. Doroud. Iran
author
text
article
2016
eng
Polycyclic 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 (Eg) 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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
102
112
https://www.orgchemres.org/article_14116_2fb1f2d5496510ba138cd6db5e6e7173.pdf
dx.doi.org/10.22036/org.chem..2016.14116
Synthesis and Biological Evaluation of Novel Quinoline Derivatives as Antibacterial and Antifungal Agents
Morteza
Shiri
Alzahra University
author
Atefeh
Nejatinejhad-Arani
author
Zeynab
Faghihi
author
Suhas A.
Shintre
author
Neil A.
Koorbanally
author
text
article
2016
eng
Vilsmeier Several diamide derivatives containing 2-chloroquinoline scaffolds were synthesized via 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 2d, 2n, 2p, 4a, 4c and 4e displayed moderate to good antibacterial and antifungal activity.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
113
119
https://www.orgchemres.org/article_14694_0fd624655cb72999f2f6451e54172632.pdf
dx.doi.org/10.22036/org.chem..2016.14694
Vilsmeier-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]indoles
Mohsen
Khezri
Department of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, Iran
author
Arash
Afghan
Urmia University of Technology, Urmia, Iran
author
Laya
Roohi
Department of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, Iran
author
Mohammad Mehdi
Baradarani
Department of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, Iran
author
text
article
2016
eng
Vilsmeier-Haack reaction of 2,3,3-trimethyl-3H-benzo[g]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-1H-pyrazol-4-yl)- 3H-benzo[g]indoles in good yields.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
120
126
https://www.orgchemres.org/article_14824_22e2019f87556f9db5a498c7ae9b8bbe.pdf
dx.doi.org/10.22036/org.chem..2016.14824
An Efficient Synthesis of 3,4-Dihydropyrimidin-2-(1H)-one Derivatives Promoted by Antimony Trichloride under Thermal and Solvent-free Conditions
Farzaneh
Mohamadpour
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, Iran
author
Malek Taher
Maghsoodlu
Sistan & Baluchestan University, Zahedan, IRAN
author
Reza
Heydari
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, Iran
author
Mojtaba
Lashkari
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, Iran
author
text
article
2016
eng
An efficient and simple one-pot approach for the synthesis of 3,4-dihydropyrimidin-2-(1H)-one derivatives using antimony trichloride (SbCl3) 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 1H NMR spectroscopy.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
127
133
https://www.orgchemres.org/article_14892_8e4c06b2464d3c3f778157e5ac178677.pdf
dx.doi.org/10.22036/org.chem..2016.14892
Ultrasound-assisted Method for the Synthesis of 3-Methyl-4-arylmethylene Isoxazole-5(4H)-ones Catalyzed by Imidazole in Aqueous Media
Javad
Safari
Laboratory of Organic Chemistry Research, Department of Organic Chemistry, College of Chemistry, University of Kashan, 87317-51167 Kashan, I.R, Iran
author
Majid
Ahmadzadeh
Laboratory of Organic Chemistry Research, Department of Organic Chemistry, College of Chemistry, University of Kashan, 87317-51167 Kashan, I.R, Iran.
author
Zohre
Zarnegar
University of Kashan
author
text
article
2016
eng
In the present study, an attempt has been made to synthesize 3-methyl-4-arylmethylene isoxazole-5(4H)-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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
134
139
https://www.orgchemres.org/article_15347_5f4c0968fb8652baf9cccd9809011d62.pdf
dx.doi.org/10.22036/org.chem..2016.15347
Tungstophosphoric Acid Supported on Silica-encapsulated γ-Fe2O3 Nanoparticles Catalyzed Oxidative Amidation
Meghdad
Karimi
Tarbiat Modares University-Tehran_Iran
author
Athar
Nakisa
Tarbiat Modares University-Tehran_Iran
author
Kobra
Azizi
Tarbiat Modares University-Tehran, Iran
author
Akbar
Heydari
Tarbiat Modares University-Tehran_Iran
author
text
article
2016
eng
We 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-Fe2O3@SiO2@H3PW12O40) 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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
140
147
https://www.orgchemres.org/article_15519_d81b7d3a9d31e9bb581795c2e5804808.pdf
dx.doi.org/10.22036/org.chem..2016.15519
Synthesis of Bis-4-hydroxycoumarins via a Multi Component Reaction Using Silica Boron-sulfuric Acid Nanoparticles (SBSANs) as an Efficient Heterogeneous Solid Acid Catalyst
Habib Ollah
Foroughi
Department of scince, Islamic AZad University, Fasa branch
author
Ali
Khalafi-Nezhad
Department of Chemistry, Shiraz University, Shiraz,71454, I.R.Iran
author
text
article
2016
eng
The 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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
148
161
https://www.orgchemres.org/article_15543_af8aad6b543e55d6533701e9cf79babf.pdf
dx.doi.org/10.22036/org.chem..2016.15543
Fe2+ Supported on Hydroxyapatite-core-shell-γ-Fe2O3 Nanoparticles as an Inexpensive and Magnetically-recoverable Catalyst for Rapid Synthesis of Benzimidazoles and Benzoxazole Derivatives
Sobhan
Rezayati
Islamic Azad University
author
Zahra
Abbasi
Chemistry Department, College of Science Shahid Chamran University, Ahvaz, Iran
author
Eshagh
Rezaee Nezhad
Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
author
Rahimeh
Hajinasiri
Chemistry Department, Qaemshahr Branch, Islamic Azad University, P.O. Box 163, Qaemshahr, Iran
author
Shahin
Soleymani Chalanchi
1Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
author
text
article
2016
eng
A simple and facile method for the preparation ofFe2+ supported on hydroxyapatite-core-shell-γ-Fe2O3 nanoparticles (γ-Fe2O3@HAp-Fe2+ 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-Fe2O3@HAp-Fe2+ 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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
162
171
https://www.orgchemres.org/article_15544_f83d3d8bc33a5f0a31faf7c4d29da071.pdf
dx.doi.org/10.22036/org.chem..2016.15544
Ultrasound Promoted Efficient Synthesis of some Amides from Nitriles in Ambient Condition
Reza
Ranjbar-Karimi
Vali-e-Asr University
author
Fahimeh
Bahadornia
Vali-e-Asr University
author
Alireza
Poorfreidoni
Vali-e-Asr University of Rafsanjan
author
text
article
2016
eng
Some amide derivatives have been synthesized by the reaction of corresponding nitriles with potassium tert-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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
172
176
https://www.orgchemres.org/article_15545_e1f41a3b93f98fec63f1f0fe1ee23126.pdf
dx.doi.org/10.22036/org.chem..2016.15545
Magnesium Oxide Nanoparticles for Catalytic Synthesis of 2-Substituted Alcohols from Regioselective Ring Opening of Epoxides in Water
Mona
Hosseini-Sarvari
Shiraz University
author
Golnaz
Parhizgar
author
text
article
2016
eng
Epoxides 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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
177
191
https://www.orgchemres.org/article_15813_8f08ee383da7cd4bf98869e0e53b7fbb.pdf
dx.doi.org/10.22036/org.chem..2016.15813
Synthesis and Pesticide Activity of some New Arylic and Pyridylic Oxime Ether Derivatives of Ionone
Motahareh
Irani
Vali-e-Asr University
author
Reza
Ranjbar-Karimi
Vali-e-Asr University
author
Hamzeh
Izadi
vali-e-Asr university
author
text
article
2016
eng
Some 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 via aromatic nucleophilic substitution (SNAr). The structures of these compounds were elucidated by IR, 1H NMR, 19F NMR and 13C NMR spectroscopic methods. All the compounds were screened in vitro against the common pistachio psylla, Agonoscena pistaciae, fifth instar nymphs. Results showed that compound 3c (LC50 value of 227.76 mg l-1) was much more toxic to fifth instar nymphs ofcommon pistachio psylla than compound 3a (LC50 = 1539.14 mg l-1) and compound 3f (LC50 = 569.319 mg l-1).
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
192
196
https://www.orgchemres.org/article_15814_a7f584b094a14a2bc1436cc032f4718c.pdf
dx.doi.org/10.22036/org.chem..2016.15814
Design, Characterization and Application of SO3H-Functionalized Phthalimide as a Highly Efficient Catalyst for the Condensation of Dimedone with Arylaldehydes, β-Ketoesters and Ammonium Acetate
Zahra
Kordrostami
interest
author
text
article
2016
eng
In this work, SO3H-functionalizedphthalimide (SFP) as a SO3H-containing solid acid is prepared by the reaction of phthalimide with chlorosulfonic acid, and characterized by FT-IR, 1H and 13C 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.
Organic Chemistry Research
Iranian Chemical Society
2383-242X
2
v.
2
no.
2016
197
207
https://www.orgchemres.org/article_17602_f3c5bd23ec787ab62bb43e75157d7326.pdf
dx.doi.org/10.22036/org.chem..2016.17602