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11.
Research on Chemical Intermediates - An efficient ecofriendly approach has been developed for one-pot multicomponent synthesis of fused polycyclic dihydropyridine (DHP) derivatives. Tandem... 相似文献
12.
13.
Omidi Kashani Behzad Bidarian Behzad 《Journal of Thermal Analysis and Calorimetry》2020,139(4):2499-2508
Journal of Thermal Analysis and Calorimetry - The purpose of the present study is to provide a sub-model for the formation and oxidation of soot based on chemical kinetics for the DC-9 Scania... 相似文献
14.
Karim Akbari Dilmaghani Behzad Zeynizadeh Mahdi Yari 《Phosphorus, sulfur, and silicon and the related elements》2013,188(7):1722-1728
The one-pot condensation of aromatic aldehydes, β-dicarbonyl compounds, and urea or thiourea in the presence of H2SO4 supported on silica gel or alumina (80% m/m) in refluxing n-hexane produces 3,4-dihydropyrimidin-2(1H)-ones and their sulfur derivatives in high to excellent yields. 相似文献
15.
In this study, the biologically active configurations composed of Thiazolidinedione–Uracil (TU) and Rhodanine–Uracil (RU) have been fully investigated from the energetic and structural points of view, employing B3LYP and M062X functionals in combination with the different basis sets. Dispersion corrections to the interaction energy using M062X–GD3 and double hybrid density functionals (B2PLYP–GD2, B2PLYP–GD3 and mPW2PLYP–GD2) are also taking into account. The basis set superposition error-corrected interaction energy for hydrogen bonded configurations ranges from ??5.27 to ??13.53 and ??5.25 to ??12.93 kcal/mol for TU and RU complexes respectively as calculated at M062X/6–311++G(df,pd) level. The charge transfer process within all of the TU and RU configurations were analyzed using Natural Bond Orbital (NBO) calculations. The nature of the interactions is analyzed with NBO and Atoms in Molecules (AIM) analysis at M062X/6–311++G(df,pd) and energy decomposition analysis at BP86–D3/TZ2P(ZORA)//M062X/6–311++G(df,pd) level of theory. The results confirm that the nature of the interactions is nearly electrostatic, with a contribution of about 51–56% of the total interaction energy. The orbital interactions (ΔEorb) for the considered TU and RU complexes have a contribution of about 24–38% of the total interaction energy. Based on the AIM and NBO results, the interactions were defined as electrostatic H-bonds with partially covalent character. In addition, correlation between interaction energies and vibrational frequency changes was investigated. 相似文献
16.
Mehdi Rimaz Hossein Mousavi Laya Nikpey Behzad Khalili 《Research on Chemical Intermediates》2017,43(7):3925-3937
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Karim Akbari Dilmaghani Behzad Zeynizadeh Hadi Parasajam 《Phosphorus, sulfur, and silicon and the related elements》2013,188(4):544-553
Abstract Various 3,4-dihydropyrimidin-2-(1H)-ones (DHPMs) and their sulfur derivatives were efficiently synthesized by a one-pot cyclocondensation reaction of aromatic and aliphatic aldehydes, β-dicarbonyl compounds and urea (or thiourea) in the presence of sulfuric acid immobilized on activated charcoal (133% w/w). The reactions were carried out in refluxing n-hexane-acetonitrile (2.5:0.5 mL) within 5–150 min to give 3,4-dihydropyrimidinones (or thiones) in high to excellent yields (81–97%). 相似文献
18.
A simple method is described for the efficient conversion of trimethylsilyl ethers to their corresponding acetyl and formyl esters in refluxing ethyl acetate or ethyl formate in the presence of TiCl4. 相似文献
19.
Firouz Matloubi Moghaddam Zohreh Mirjafary Hamdollah Saeidian Behzad Koushki Foroushani Saghar Nourian 《合成通讯》2013,43(13):1941-1949
The synthesis of bicyclo[3.3.1]nonane systems is reported. The synthesis is based on the tandem 1,3-dinucleophilic addition of 4-hydroxy-2-quinolinone to quinolinium salts. 相似文献
20.
NaBH4 in the presence of charcoal (0.4–0.8 g) reduces varieties of nitroarenes to their corresponding amines. Reduction reactions were carried out in a mixture of H2O‐THF (1:0.5 mL) at 50–60°C with high to excellent yields of products. 相似文献