scholarly journals Microwave-assisted synthesis of 4-oxo-2-butenoic acids by aldol-condensation of glyoxylic acid

RSC Advances ◽  
2021 ◽  
Vol 11 (48) ◽  
pp. 30229-30236
Author(s):  
Mélanie Uguen ◽  
Conghao Gai ◽  
Lukas J. Sprenger ◽  
Hang Liu ◽  
Andrew G. Leach ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Aldol Condensation ◽  
Glyoxylic Acid ◽  
New Method ◽  
Microwave Assisted Synthesis ◽  
Methyl Ketones ◽  
Microwave Assisted ◽  
Orbital Energies

A new method for the synthesis of 4-oxo-2-butenoic acids is described by aldol condensation with methyl ketones. Substrate dependent conditions are rationalised mechanistically with quantum mechanically derived molecular orbital energies.

scholarly journals One-Pot Microwave-Assisted Synthesis of Water-Soluble Pyran-2,4,5-triol Glucose Amine Schiff Base Derivative: XRD/HSA Interactions, Crystal Structure, Spectral, Thermal and a DFT/TD-DFT

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 117
Author(s):  
Yousef Hijji ◽  
Rajeesha Rajan ◽  
Hamdi Ben Yahia ◽  
Said Mansour ◽  
Abdelkader Zarrouk ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Orbital ◽  
Density Functional ◽  
Condensation Reaction ◽  
3D Structure ◽  
Water Soluble ◽  
Microwave Assisted Synthesis ◽  
One Pot ◽  
Microwave Assisted ◽  
Td Dft

The(3R,4R,6R)-3-(((E)-2-hydroxybenzylidene)amino)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,4,5-triol water-soluble Glucose amine Schiff base (GASB-1) product was made available by condensation of 2-hydroxybenzaldehyde with (3R,6R)-3-amino-6-(hydroxymethyl)-tetra-hydro-2H-pyran-2,4,5-triol under mono-mode microwave heating. A one-pot 5-minute microwave-assisted reaction was required to complete the condensation reaction with 90% yield and without having byproducts. The 3D structure of GASB-1 was solved from single crystal X-ray diffraction data and computed by DFT/6-311G(d,p). The Hirshfeld surface analysis (HSA), molecular electronic potential (MEP), Mulliken atomic charge (MAC), and natural population analysis (NPA) were performed. The IR and UV-Vis spectra were matched to their density functional theory (DFT) relatives and the thermal behavior was resolved in an open-room condition via thermogravimetry/Derivative thermogravimetry (TG/DTG) and differential scanning calorimetry (DSC). The highest occupied molecular orbital/lowest unoccupied molecular orbital (HOMO/LUMO), density of state (DOS), and time-dependence TD-DFT computations were correlated to the experimental electron transfer in water and acrylonitrile solvents.

scholarly journals Microwave Assisted Synthesis, Spectral Studies and Antimicrobial Activities of some 2′,4′-Difluorophenyl Chalcones

2013 ◽  
Vol 14 ◽  
pp. 68-86 ◽  
Author(s):  
S. Vijayakumar ◽  
R. Arulkumaran ◽  
R. Sundararajan ◽  
S.P. Sakthinathan ◽  
R. Suresh ◽  
...  
Keyword(s):  
Aldol Condensation ◽  
Chemical Shifts ◽  
Catalytic Amount ◽  
Antimicrobial Activities ◽  
Spectral Studies ◽  
Microwave Assisted Synthesis ◽  
Vinyl Proton ◽  
Microwave Assisted ◽  
Substituent Constants ◽  
Fingerprint Region

Some 2′,4′-difluorophenyl chalcones have been synthesized under microwave irradiation using aldol condensation between 2,4-difluoroacetophenone and substituted benzaldehydes using catalytic amount of hydroxyapatite. The yields of the chalcones are more than 85%. The purities of these synthesized chalcones were examined by their physical constants and spectroscopic data. The UV absorption maxima (λmax, nm), infrared stretches (ν, cm-1) of CO, fingerprint region of CHip/op, CH=CHop, C=Cop modes, NMR chemical shifts (δ, ppm) of vinyl proton, carbon and carbonyl carbons have been assigned and correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the statistical analysis the effect of substituent on the above spectral frequencies can be discussed. The antimicrobial activities of these synthesized chalcones have been screened using Bauer-Kirby method.

Microwave-assisted Synthesis of Perylene-3,4-dicarboximides: Highly Photostable Fluorescent Dyes

2008 ◽  
Vol 1091 ◽  
Author(s):  
Brian Guthrie ◽  
Zixing Wang ◽  
Jian Li
Keyword(s):  
Reaction Time ◽  
Electrochemical Properties ◽  
Fluorescent Dyes ◽  
New Method ◽  
Reaction Yield ◽  
Microwave Assisted Synthesis ◽  
Synthetic Method ◽  
Microwave Assisted ◽  
Influence Of Substituents

AbstractA new method for synthesis of perylene-3,4-dicarboximides (PDCIs) is reported. Modified from a literature reported synthetic method, microwave assisted heating was used to perform the reaction, which not only shortened the original reaction time, from 18 hours to 30 min, but also increased the corresponding reaction yield. A variety of PDCI derivatives were synthesized in order to correlate the influence of substituents on the reaction outcome. Moreover, the photophysical and electrochemical properties of PDCIs are characterized and reported.

Microwave Assisted Synthesis of Cationic Amino Sugar Surfactants

2020 ◽  
Vol 57 (3) ◽  
pp. 265-272
Author(s):  
Priya S. Singh ◽  
Aizaz Shaikh ◽  
Aditi Deshmukh ◽  
Amit P. Pratap
Keyword(s):  
Amino Sugar ◽  
Microwave Assisted Synthesis ◽  
Microwave Assisted

Pyrrole: Chemical Synthesis, Microwave Assisted Synthesis, Reactions and Applications: A Review

2013 ◽  
Vol 17 (20) ◽  
pp. 2279-2304 ◽  
Author(s):  
Shrinivas Joshi ◽  
Uttam More ◽  
Venkatrao Kulkarni ◽  
Tejraj Aminabhavi
Keyword(s):  
Chemical Synthesis ◽  
Microwave Assisted Synthesis ◽  
Microwave Assisted ◽  
Synthesis Reactions

Microwave assisted synthesis of novel Pyrazole derivatives and their biological evaluation as anti-bacterial agents

2020 ◽  
Vol 23 ◽  
Author(s):  
Hadis Khodadad ◽  
Farhad Hatamjafari ◽  
Khalil Pourshamsian ◽  
Babak Sadeghi
Keyword(s):  
Antibacterial Activity ◽  
Aromatic Aldehydes ◽  
Catalytic Amount ◽  
Antibacterial Activities ◽  
Structural Features ◽  
Biological Evaluation ◽  
Aureus Strain ◽  
Microwave Assisted Synthesis ◽  
Pyrazole Derivatives ◽  
Microwave Assisted

Aim and Objective: Microwave-assisted condensation of acetophenone 1 and aromatic aldehydes 2 gave chalcone analogs 3, which were cyclized to pyrazole derivatives 6a-f via the reaction with hydrazine hydrate and oxalic acid in the presence of the catalytic amount of acetic acid in ethanol. Materials and Methods: The structural features of the synthesized compounds were characterized by melting point, FT-IR, 1H, 13C NMR and elemental analysis. Results: The antibacterial activities of the synthesized pyrazoles was evaluated against three gram-positive bacteria such as Enterococcus durans, Staphylococcus aureus, Bacillus subtilis and two gram-negative bacteria such as Escherichia coli and Salmonella typhimurium. Conclusion: All the synthesized pyrazoles showed relatively high antibacterial activity against S. aureus strain and none of them demonstrated antibacterial activity against E. coli.

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