ORIGINAL_ARTICLE
Computational Chemistry of Anthracene (PAH) Removal by SWNT Nano-filters: DFT
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.
https://www.orgchemres.org/article_14116_2fb1f2d5496510ba138cd6db5e6e7173.pdf
2016-09-01
102
112
10.22036/org.chem..2016.14116
Polycyclic aromatic hydrocarbons (PAHs)
SWNT (8
8)
Density of states (DOSs)
Computational Methods
Leila
Mahdavian
mahdavian_leila@yahoo.com
1
Doroud Branch, Islamic Azad University, P.O. Box: 133. Doroud. Iran
LEAD_AUTHOR
ORIGINAL_ARTICLE
Synthesis and Biological Evaluation of Novel Quinoline Derivatives as Antibacterial and Antifungal Agents
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.
https://www.orgchemres.org/article_14694_0fd624655cb72999f2f6451e54172632.pdf
2016-09-01
113
119
10.22036/org.chem..2016.14694
Multicomponent condensation
Quinolines
Diamides
antibacterial
Antifungal
Morteza
Shiri
mshiri@alzahra.ac.ir
1
Alzahra University
LEAD_AUTHOR
Atefeh
Nejatinejhad-Arani
2
AUTHOR
Zeynab
Faghihi
3
AUTHOR
Suhas A.
Shintre
4
AUTHOR
Neil A.
Koorbanally
5
AUTHOR
ORIGINAL_ARTICLE
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
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.
https://www.orgchemres.org/article_14824_22e2019f87556f9db5a498c7ae9b8bbe.pdf
2016-09-01
120
126
10.22036/org.chem..2016.14824
Vilsmeier-Haack reaction
Formylation
Pyrazole
Malondialdehyde
2-Quinolylhydrazine
Arylhydrazine
Mohsen
Khezri
m.khezri2013@gmail.com
1
Department of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, Iran
AUTHOR
Arash
Afghan
a.afghan@che.uut.ac.ir
2
Urmia University of Technology, Urmia, Iran
LEAD_AUTHOR
Laya
Roohi
laia.roohi@yahoo.com
3
Department of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, Iran
AUTHOR
Mohammad Mehdi
Baradarani
mmbaradarani@yahoo.com
4
Department of Organic Chemistry, Faculty of Chemistry, University of Urmia, Urmia 57153-165, Iran
AUTHOR
ORIGINAL_ARTICLE
An Efficient Synthesis of 3,4-Dihydropyrimidin-2-(1H)-one Derivatives Promoted by Antimony Trichloride under Thermal and Solvent-free Conditions
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.
https://www.orgchemres.org/article_14892_8e4c06b2464d3c3f778157e5ac178677.pdf
2016-09-01
127
133
10.22036/org.chem..2016.14892
Antimony trichloride (SbCl3)
3
4-Dihydropyrimidinone
Multi-component synthesis
Biginelli reaction
Farzaneh
Mohamadpour
mohamadpoor.f.7@gmail.com
1
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, Iran
AUTHOR
Malek Taher
Maghsoodlu
mt_maghsoodlou@yahoo.com
2
Sistan & Baluchestan University, Zahedan, IRAN
LEAD_AUTHOR
Reza
Heydari
heydari@hamoon.usb.ac.ir
3
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, Iran
AUTHOR
Mojtaba
Lashkari
mojtaba_chem_84@yahoo.com
4
Department of Chemistry, Faculty of Science, University of Sistan and Baluchestan, P. O. Box 98135-674 Zahedan, Iran
AUTHOR
ORIGINAL_ARTICLE
Ultrasound-assisted Method for the Synthesis of 3-Methyl-4-arylmethylene Isoxazole-5(4H)-ones Catalyzed by Imidazole in Aqueous Media
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.
https://www.orgchemres.org/article_15347_5f4c0968fb8652baf9cccd9809011d62.pdf
2016-09-01
134
139
10.22036/org.chem..2016.15347
Isoxazoles
Ultrasound irradiation
Imidazole
Catalyst
Water
Javad
Safari
safar_jav@yahoo.com
1
Laboratory of Organic Chemistry Research, Department of Organic Chemistry, College of Chemistry, University of Kashan, 87317-51167 Kashan, I.R, Iran
AUTHOR
Majid
Ahmadzadeh
m.ahmadzade85@gmail.com
2
Laboratory of Organic Chemistry Research, Department of Organic Chemistry, College of Chemistry, University of Kashan, 87317-51167 Kashan, I.R, Iran.
AUTHOR
Zohre
Zarnegar
z_zarnegar@yahoo.com
3
University of Kashan
LEAD_AUTHOR
ORIGINAL_ARTICLE
Tungstophosphoric Acid Supported on Silica-encapsulated γ-Fe2O3 Nanoparticles Catalyzed Oxidative Amidation
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.
https://www.orgchemres.org/article_15519_d81b7d3a9d31e9bb581795c2e5804808.pdf
2016-09-01
140
147
10.22036/org.chem..2016.15519
Oxidative amidation
Amid
Magnetic nanoparticles
Catalytic reaction
Meghdad
Karimi
meghdadkarimi1365@gmail.com
1
Tarbiat Modares University-Tehran_Iran
AUTHOR
Athar
Nakisa
athar_nakisa@yahoo.com
2
Tarbiat Modares University-Tehran_Iran
AUTHOR
Kobra
Azizi
azizikobra@ymail.com
3
Tarbiat Modares University-Tehran, Iran
LEAD_AUTHOR
Akbar
Heydari
heydar_a@modares.ac.ir
4
Tarbiat Modares University-Tehran_Iran
AUTHOR
ORIGINAL_ARTICLE
Synthesis of Bis-4-hydroxycoumarins via a Multi Component Reaction Using Silica Boron-sulfuric Acid Nanoparticles (SBSANs) as an Efficient Heterogeneous Solid Acid Catalyst
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.
https://www.orgchemres.org/article_15543_af8aad6b543e55d6533701e9cf79babf.pdf
2016-09-01
148
161
10.22036/org.chem..2016.15543
Silica boron-sulfuric acid nanoparticles (SBSANs)
Solid acid
Lewis-protic acid
Biscoumarin
Habib Ollah
Foroughi
foroughihabib@ymail.com
1
Department of scince, Islamic AZad University, Fasa branch
LEAD_AUTHOR
Ali
Khalafi-Nezhad
khalafi@chem.susc.ac.ir
2
Department of Chemistry, Shiraz University, Shiraz,71454, I.R.Iran
AUTHOR
ORIGINAL_ARTICLE
Fe2+ Supported on Hydroxyapatite-core-shell-γ-Fe2O3 Nanoparticles as an Inexpensive and Magnetically-recoverable Catalyst for Rapid Synthesis of Benzimidazoles and Benzoxazole Derivatives
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.
https://www.orgchemres.org/article_15544_f83d3d8bc33a5f0a31faf7c4d29da071.pdf
2016-09-01
162
171
10.22036/org.chem..2016.15544
γ-Fe2O3@HAp-Fe2+ NPs
Lewis acid
Magnetic nanoparticle
Benzimidazole
Benzoxazole
Sobhan
Rezayati
sobhan.rezayati@yahoo.com
1
Islamic Azad University
LEAD_AUTHOR
Zahra
Abbasi
zahra.abbasi886@gmail.com
2
Chemistry Department, College of Science Shahid Chamran University, Ahvaz, Iran
AUTHOR
Eshagh
Rezaee Nezhad
e.rezaee66@yahoo.com
3
Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
AUTHOR
Rahimeh
Hajinasiri
rhmhajinasiri@yahoo.com
4
Chemistry Department, Qaemshahr Branch, Islamic Azad University, P.O. Box 163, Qaemshahr, Iran
AUTHOR
Shahin
Soleymani Chalanchi
sol.shahin@yahoo.com
5
1Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
AUTHOR
ORIGINAL_ARTICLE
Ultrasound Promoted Efficient Synthesis of some Amides from Nitriles in Ambient Condition
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.
https://www.orgchemres.org/article_15545_e1f41a3b93f98fec63f1f0fe1ee23126.pdf
2016-09-01
172
176
10.22036/org.chem..2016.15545
Ultrasound irradiation
Amide
Nitrile
Synthesis
Room tempereture
Reza
Ranjbar-Karimi
r.ranjbarkarimi@vru.ac.ir
1
Vali-e-Asr University
LEAD_AUTHOR
Fahimeh
Bahadornia
karimi_r110@yahoo.com
2
Vali-e-Asr University
AUTHOR
Alireza
Poorfreidoni
alireza.poorfreidoni@stu.vru.ac.ir
3
Vali-e-Asr University of Rafsanjan
AUTHOR
ORIGINAL_ARTICLE
Magnesium Oxide Nanoparticles for Catalytic Synthesis of 2-Substituted Alcohols from Regioselective Ring Opening of Epoxides in Water
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.
https://www.orgchemres.org/article_15813_8f08ee383da7cd4bf98869e0e53b7fbb.pdf
2016-09-01
177
191
10.22036/org.chem..2016.15813
Nano MgO
Ring Opening
Epoxides
1
2-Diols
2-Substituted diols
Mona
Hosseini-Sarvari
hossaini@shirazu.ac.ir
1
Shiraz University
LEAD_AUTHOR
Golnaz
Parhizgar
2
AUTHOR
ORIGINAL_ARTICLE
Synthesis and Pesticide Activity of some New Arylic and Pyridylic Oxime Ether Derivatives of Ionone
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).
https://www.orgchemres.org/article_15814_a7f584b094a14a2bc1436cc032f4718c.pdf
2016-09-01
192
196
10.22036/org.chem..2016.15814
Oxime ether
pesticide
Synthesis
Ultrasonic irradiation
Agonoscena pistaciae
Motahareh
Irani
m.irani@stu.vru.ac.ir
1
Vali-e-Asr University
AUTHOR
Reza
Ranjbar-Karimi
r.ranjbarkarimi@vru.ac.ir
2
Vali-e-Asr University
LEAD_AUTHOR
Hamzeh
Izadi
izadi@vru.ac.ir
3
vali-e-Asr university
AUTHOR
ORIGINAL_ARTICLE
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
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.
https://www.orgchemres.org/article_17602_f3c5bd23ec787ab62bb43e75157d7326.pdf
2016-09-01
197
207
10.22036/org.chem..2016.17602
SO3H-functionalized phthalimide (SFP)
SO3H-containing solid acid
Dimedone
Arylaldehyde
β-Ketoester
Polyhydroquinoline
Zahra
Kordrostami
zr.kordrostami@gmail.com
1
interest
LEAD_AUTHOR