This study employs density functional theory (DFT) with Grimme's D3-BJ dispersion correction to investigate the adsorption of six hazardous industrial gases (HIGas) including cyanogen chloride (CNCl), formaldehyde (CH2O), cyanogen (C2N2), hydrogen cyanide (HCN), dichloroacetylene (C2Cl2), and phosgene (COCl2) on a magnesium-porphyrin nanoring sensor (NR4P4Mg4). The interactions are characterized as physical and reversible, with BSSE corrected adsorption energies ranging from -1.90 to -18.36 kcal/mol. Gas adsorption induces a significant band gap increase of approximately 122 %, substantially reducing electrical conductivity, while maintaining adsorption distances of 2.16-3.09 Å consistent with physisorption. The calculated recovery times spanning picoseconds to microseconds indicate rapid adsorption-desorption cycles. Electronic structure analysis through Natural Bond Orbital (NBO) and Frontier Molecular Orbital (FMO) calculations reveals consistent electron transfer from gas molecule HOMOs to the nanoring's LUMO. The presence of four distinct adsorption sites enables saturation-free detection of HIGas, with demonstrated resilience against atmospheric interference from nitrogen and humidity.

The adsorption behavior of five Toxic industrial gases (TIGas) - cyanogen chloride (CNCl), cyanogen (C2N2), dichloroacetylene (C2Cl2), hydrogen cyanide (HCN), and phosgene (COCl2) - on a Mg-porphyrin nanoball was investigated using density functional theory (DFT). The gases interacted with the nanoball via their primary functional groups, exhibiting negative, physical, and reversible adsorption. In all configurations, gas adsorption induced a significant increase (approximately 134 %) in the nanoball's band gap, leading to a substantial reduction in conductivity. Equilibrium distances between the gases and the central magnesium ions ranged from 2.25 to 3.9 Å, confirming physisorption. The recovery times were in the microsecond, nanosecond, and picosecond ranges, respectively, indicating rapid adsorption-desorption dynamics. Natural Bond orbital (NBO) analysis revealed electron transfer from the highest occupied molecular orbital (HOMO) of the gases to the lowest unoccupied molecular orbital (LUMO) of the nanoball, reducing the positive charge on magnesium ions while increasing the gas molecules' positive charge. Within the porphyrin rings, nitrogen atoms lost electron density, whereas carbon atoms gained electrons from the nanoball's wings. Frontier molecular orbital (FMO) and charge transfer analyses further supported electron donation from the gases to the nanoball. The Mg-porphyrin nanoball's six adsorption sites enable saturation-free detection of toxic industrial (TI) gases, even in the presence of oxygen, nitrogen, or humidity.

This work presents a clean and convenient synthesis of various beta-enaminones including 5,5- dimethyl-3-aminocyclohex-2-enones, in satisfactory to excellent yields from the condensation reaction of primary amines with beta -dicarbonyls by employing T3P (R) as a catalyst and performing the reaction under microwave irradiation and solvent-free conditions. These rapid reactions launched readily and stood a diversity of organic functional groups. A mixture of 1,3-dicarbonyl compound, primary amine and T3P (R) (50% in AcOEt) was irradiated for an appropriate time under microwave at 80 degrees C. After completing the reaction (TLC) and cooling to r.t., ethyl acetate and saturated aqueous NaHCO3 solution were added. The aqueous phase was extracted ethyl acetate. The combined organic layer was washed with brine, dried over Na2SO4, and filtered, and the solvent was removed under reduced pressure to afford the product, which was recrystallized from diisopropyl ether. The presented results exhibit a better catalytic activity of T3P in the synthesis of enaminones. It could be concluded that T3P is the best catalyst as it took only a few minutes for the completion of the reaction with an excellent yield of product, which indicates T3P is more efficient, compared to other catalysts. A comparison of the efficiency of the present procedure with some heterogeneous solid catalysts was evaluated as well. Clearly, a higher yield was established in this procedure compared to other catalysts. Furthermore, the reaction of amines with dimedone was investigated as well, delivering excellent yields. The reaction catalyzed by T3P under microwave irradiation supplies a comprehensive method for the synthesis of enaminones. In this work, T3P is an effective, efficient and green catalyst, which forms the procedure economic, suitable, and safe with widespread application in the synthesis of enaminones.

An environmentally friendly and highly efficient method for onion extract-catalyzed microwave-assisted solvent- free synthesis of pyrroles via Paal–Knorr reaction with hexane-2,5-dione has been developed. This method is applicable to a wide range of aromatic, aliphatic, and heterocyclic primary amines, and it affords various pyrrole derivatives in good to excellent yields (up to 98

The enaminone framework is a versatile building block used in organic synthesis. Herein, a series of beta-enaminones were synthesized in good to excellent yields from the reaction of various aliphatic and aromatic primary amines with 1,3-dicarbonyl compounds using common natural organic acids (lactic, malic, tartaric, citric and ascorbic acid) as green, eco-friendly and efficient catalysts under microwave irradiation and solvent-free conditions.

Chromenes are an important class of heterocyclic compounds. They are widely used as pigments, cosmetics,1 and potentially biodegradable agrochemicals.2 They also show a wide range of biological and...

AIM AND OBJECTIVE:Citrus Juice as an efficient, cost-effective and green catalyst employed for one-pot synthesis of various β-substituted enaminones through the reaction of β- dicarbonyl compounds with different primary amines in a solvent-free conditions on silica gel as solid surface using grindstone technique in high yields and short reaction times. The presented procedure is operationally simple, practical and green.MATERIAL AND METHODS:The wide application of this procedure is demonstrated by the use of various substituted amines to react with β-dicarbonyl compounds. The method was successfully applied for primary amines (15 entries) and the related enaminones were well synthesized in good to excellent yields. Melting points were measured on an Electro thermal 9100 apparatus. 1HNMR and 13C NMR spectra were recorded on a FTNMR BRUKER DRX 500 Avence spectrometer. Chemical shifts were given in ppm from TMS as internal references and CDCl3 was used as the solvent as well. The IR spectra were recorded on a Perkin Elmer FT-IR GX instrument. The chemicals used in this work were purchased from Merck and Fluka chemical companies.RESULTS:Grinding synthesis of citrus juice catalyzed enamination of 1,3-dicarbonyls (acetylacetone, methyl and ethyl-3-oxobutanoate) with various primary amines (aromatic and aliphatic) under solvent-free silica supported conditions was examined and studied (15 entries) and the obtained enaminones were well synthesized in good to excellent yields. Furthermore, the effect of various catalysts on the yield and reaction time for grinding synthesis of 3-phenylamino- but- 2- enoic acid ethyl ester (1) by this method has evaluated as well.CONCLUSION:A novel, efficient and green protocol for the grinding synthesis of enaminones using citrus juice as natural catalyst has been presented. This methodology is user friendly, green and low cost procedure under mild reaction condition with faster reaction rates. The citrus juice is inexpensive and non-toxic which makes the process convenient, more economic and benign. Furthermore, applying grindstone technique in solvent-free conditions, use of silica gel as a solid and heterogeneous surface in reaction, high yields of products, cleaner reaction profiles, and availability of the reagents makes this method a better choice for synthetic chemists.

Triaryl cyanurates are important chemicals used in various fields such as polymer, dyes and pharmaceuticals. In this research, synthesis of some triaryl cyanurates derivatives on smectite clays such as montmorillonites K10 and KSF, hectorite and bentonite as green, recyclable and heterogeneous catalysts using grinding method without any organic solvents has been evaluated. This present method is superior since it is eco-friendly, advantageous over previously described methods in yield, requires no special apparatus, there is simplicity of operation, and is non-hazardous, simple and convenient. In addition, the simple experimental and product isolation procedures combined with the easy recovery and reuse of these worthwhile natural clays play an important role in development of the clean and environmentally friendly strategy in this new and benign method.

Background: In recent years, the preparation, characterization, and surface modification of nanostructured materials have become topics of great interest because of their unique properties and possible uses in technological applications. One powerful example is the embracement of "interfacial organic chemistry" by the materials science community. Objective: This study was mainly directed towards incorporating solution phase reaction systems into the structure of self-assembled monolayers on gold nanoparticles to develop strategies to exploit the interfacial reactions of these systems to serve as probes to aid in our basic understanding of the mechanistic factors that control molecular interactions and organic reactions at organized monolayer interfaces. Method: A series of aldehyde-and azide-terminated alkanethiols with varied alkyl chain lengths were synthesized and successfully incorporated onto the surface of small gold nanoparticles through the place-exchange reaction. Results: Employing NMR technique, the physical organic chemistry aspects of these tailored gold nanoparticles, especially the interfacial reactivity of them for the imine formation and 1,3-dipolar cycloaddition reactions were evaluated in some detail. Furthermore, the effect of electronic parameter on these interfacial reactions was probed, and it was found that this parameter plays a key role and controls the progress of reaction. Synthesis and characterization of modified nanoparticles were studied by 1HNMR, TEM, FTIR, and UV/Vis technique. Conclusion: In summary, this study has tried to extend the simple organic synthetic pathways into the surface chemistry of nanoparticles and also two well-known organic reactions; namely click reaction and imine formation on the surface of nanoparticles could be carried out under ambient conditions.

Imidation of various anhydrides employing solvent-free grindstone technique using smectite clays as recyclable and green catalysts was examined and obtained excellent yields.

Montmorillonite K-10 and KSF clays as recyclable and heterogeneous catalysts are used to catalyze the Cannizzaro reaction by 1,4-diazabicyclo[2.2.2] octane (DABCO) under microwave irradiation (MWI) and solvent-free conditions in excellent yields within seconds. The solid clays applied in the first cycle are recovered and reused in the subsequent reactions.

Background: Xanthenes are an important class of organic compounds and have also received significant attention due to their wide range of pharmacological activities such as antibacterial, antiviral, antiinflammatory activities, antagonists for the paralyzing action of zoxazolamine and efficiency in photodynamic therapy, a well-known method for controlling the localized tumors. Natural sources are also rich of xanthene compounds. Popularly known pigments, santalin have been isolated from plant species. Furthermore, these compounds can be emerged as pH-sensitive fluorescent materials for visualization of biomolecules, in laser technologies and as dyes. There are several reports in the literature for the synthesis of xanthenes such as alkylations of heteroatoms, cyclodehydrations, cyclocondensations between 2-hydroxyaromatic aldehydes and 2-tetralone, trapping of benzynes by phenols and intramolecular phenyl-carbonyl coupling reactions of benzaldehydes and acetophenones bearing tethered carbonyl chains in the presence of hexamethylphosphoramide and SmI2. Other methods for the synthesis of xanthenes include the reaction of formamide with beta-naphthol, carbon monoxide, and 1-hydroxymethyl-naphthalen-2-ol.Methods: procedure a: A mixture of substituted benzaldehyde, 2-naphtol and Fe+3-montmorillonite K10 was mixed. After completion of the reaction, the product was solved in CHCl3 (3x10 mL) and insoluble catalyst was removed by filtration. The organic phase including the product and chloroform was evaporated under vacuum. The resulting crude material was purified by recrystallization from EtOH to afford pure products. procedure b: A mixture of substituted benzaldehyde, phenylhydrazine and Fe+3-montmorillonite K10 were added to a mortar and the mixture was pulverized with a pestle. After completion of the reaction, 2-naphtol was added to the consulting mixture and pulverized with a pestle. The organic phase including the product and chloroform was evaporated under vacuum. The resulting crude material was purified by recrystallization from EtOH to afford pure products.Results: As part of our going interest for the development of efficient and environmentally friendly procedures for the synthesis of heterocyclic and pharmaceutical compounds, we wish to report the first grind mediated synthesis of some derivatives of xanthenes using catalytic amount of Fe+3-montmotillonite.Conclusion: In conclusion, we have investigated the Fe+3-montmorillonite K10 under grinding as a mild and efficient catalyst for the synthesis of substituted 14-aryl-14H-dibenzo [a,j] xanthenes. The remarkable advantages offered by this method are: catalyst is inexpensive, non-toxic, easy handling and reusability, simple work-up procedure, short reaction time, high yields of product with better purity and green aspect by avoiding toxic catalyst and hazardous solvent.

A series of 2-substituted quinazolin-4(1H)-ones have been synthesized in excellent yields and short reaction times by one-pot reaction of isatoic anhydride with ammonium acetate and aromatic aldehydes under microwave irradiation. The reaction was efficiently promoted by 0.5 mmol of 3,3′-(butane-1,4-diyl)bis(1,2-dimethyl-1H-imidazol-3-ium) dibromide [BDBIm] Br, and the catalyst could be recovered easily and reused without appreciable loss of reactivity.

A series of ?-amino-?, ?-unsaturated ketones and esters synthesized from the reaction of different amines with 1,3- dicarbonyl compounds in solvent-free media using montmorillonite K-10 clay as solid recyclable heterogeneous acidic catalyst and microwave irradiation in good to excellent yields.

Montmorillonite K-10 and KSF clays catalyze esterification of phenols and alcohols under microwave irradiation and solvent-free conditions in high yields within seconds.

ChemInformVolume 44, Issue 46 Heterocyclic Compounds ChemInform Abstract: Solvent-Free Synthesis of Phthalazine-2(1H)-carboxamide Derivatives Using K-10 Clay under Microwave Irradiation. Omid Marvi, Omid Marvi Dep. Chem., Payame Noor Univ., Tehran, IranSearch for more papers by this authorMohammad Nikpasand, Mohammad Nikpasand Dep. Chem., Payame Noor Univ., Tehran, IranSearch for more papers by this author Omid Marvi, Omid Marvi Dep. Chem., Payame Noor Univ., Tehran, IranSearch for more papers by this authorMohammad Nikpasand, Mohammad Nikpasand Dep. Chem., Payame Noor Univ., Tehran, IranSearch for more papers by this author First published: 24 October 2013 https://doi.org/10.1002/chin.201346162Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinked InRedditWechat No abstract is available for this article. Volume44, Issue46November 12, 2013 RelatedInformation

Abstractvia a simple Biginelli protocol; 8 examples

Montmorillonite K-10 clay catalyzes the reaction of different anhydrides with semicarbazide under microwave irradiation. The corresponding carboxamide derivatives are obtained in high yield and short reaction times.

Betamethasone sodium phosphate ( BMNaP ) has been employed as an electroactive material in the design of an ion-selective electrode ( ISE ). The electrode incorporates PVC membrane with betamethasone sodium phosphate-lidocaine ion pair complex. The influences of membrane composition, temperature, pH of the test solution, and the interfering ions on the electrode performance were investigated. The sensor exhibits a Nernstian response for betamethasone sodium phosphate ions over a relatively wide concentration range (1.0 × 10 −1 to 1.0 × 10 −5 M) with a slope of 28.4 ± 0.9 mV per decade at 25°C. It can be used in the pH range 4.0–10.0. The isothermal temperature coefficient of this electrode amounted to −0.0008 V/°C. The membrane sensor was successfully applied to the determination of betamethasone sodium phosphate in pharmaceutical products.