Synthesis and conformational studies of a short linear peptide containing a pyrrole amino acid (1, Paa) and a furan amino acid (2, Faa), namely Boc-hGly-Faa-d-Pro-Gly-Paa-hGly-Faa-OMe (3), were carried out in which it was established that peptide 3 adopted a well-defined β-hairpin structure in ...
The cycloaddition reaction between C,N-diphenyl nitrone and an unsymmetrically disubstituted olefin, methyl crotonate has been studied in terms of several theoretical approaches at DFT/B3LYP/6-31G(d) level of theory. The electronic populations have been computed from natural orbital based charge...
Rotational isomerism in methyl trans crotonate (MC) and its properties in the ground (S0) and first excited (S1) electronic states have been studied by spectroscopic and quantum chemical techniques such as Density Functional Theory (DFT) with B3LYP functionals and RHF using extended basis sets l...
The Raman and infrared spectra of liquid and solid methyl trans-crotonate (MC) and its deuterated analogue, methyl-d3 trans-crotonate (Md3C), were recorded. From variable temperature studies for the pure liquid, it is concluded that these molecules exist as a mixture of two forms, the s-cis and ...
Dimerization of methyl crotonate was studied for active solid base catalysts as well as for elucidation of the reaction mechanisms on the solid base catalysts. Among various types of solid base catalysts, MgO showed a higher activity than those of the other solid base catalysts, such as CaO, SrO...
This paper assesses whether a cleaner and more sustainable production of the chemical building blocks methyl crotonate (MC) and methyl acrylate (MA) can be obtained in an innovative process in which resource consumption, waste generation and environmental impacts are minimized by using polyhydro...
Gas-phase hydrogenation of methyl crotonate (MC) has been studied over Pt supported on Al2O3, C, SiO2, and TiO2. The physicochemical properties of the catalysts were characterized by use of N2 physisorption, transmission electron microscopy and CO chemisorption. The effects of Pt dispersion and ...
In order to examine in detail the effect of C C bond on the combustion chemistry of biodiesel fuels, two C4 fatty acid methyl esters (FAMEs) were investigated, namely methyl butanoate (MB) and methyl crotonate (MC). Pyrolysis experiments of these two FAMEs at 30, 150 and 780 Torr were conducted...
Isolated polyhydroxyalkanoates (PHA) can be used to produce biobased bulk chemicals. However, isolation is complex and costly. To circumvent this, whole cells containing PHA may be used. Here, PHA containing 3-hydroxybutyrate and small amounts of 3-hydroxyvalerate was produced from wastewater an...
With the growing urgency of potential catastrophic climate changes due to anthropogenic CO2 emissions, numerous efforts have been devoted to development of synthetic protocols using CO2 as a building block in organic reactions, but the general applicability to complex drug-like substrates remain...
The construction of N-methyl amine moieties is an important reaction that has found numerous applications. Development of new methylation agents that are more environmentally benign than classical agents, such as iodomethane and methyl sulfate, is still highly desirable. Herein, we report a conv...
Cycloaddition reactions are applied to the synthesis of anticancer compounds. The chapter reports on the use of classical Diels–Alder and their hetero version for the design and synthesis of compounds that were tested for their antiproliferative activities as well as apoptosis. Furthermore, 1,3...
Publisher SummaryThis chapter explains various acids and their derivates. There are mainly twelve patents that are covered in this chapter, which include aromatic carboxylic acid derivatives, azinyloxy and phenoxy-diaryl-carboxylic acid derivates, cinnamic acid derivatives, compounds derived fro...
Fifteen 8-substituted-phenyl-6-ferrocenyl-4-methyl-2H-pyrano[3,2-g]quinolin-2-ones were synthesized via Povarov three-component reaction, in which the substituted aromatic aldehydes reacted with ferrocenylacetylene and 7-amino-4-methylcoumarin in the presence of Ce(OTf)3 as the catalyst. The obt...
In the presence of Na2CO3, a variety of fluoroalkylated quinolones were efficiently synthesized from isatins and fluoroalk-2-ynoates in good to excellent yields at room temperature. The reaction can proceed via two different ways with Michael adduct or isatoic anhydride as the key intermediate.
A convergent synthesis of a series of 16 new polysubstituted (5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(quinolin-4-yl)methanones, starting from isatin and alky(aryl/heteroaryl) ketones, is described. The diheteroaryl methanones were achieved at yields of up to 95% by a [3 + 2] c...
The covalent modification of peroxisome-proliferator activated receptor β/δ (PPARβ/δ) is part of the mode of action of 5-trifluoromethyl-2-sulfonylpyridine PPARβ/δ antagonists such as GSK3787 and CC618. Herein, the synthesis and in vitro biological evaluation of a range of structural analo...
From a comparison of 103 compounds, the usefulness of substituted quinolines, in particular 5,7-dichloro-8-hydroxyquinoline, 5,7-dichloro-8-quinolyl-N-phenylcarbamate, Halquinol and oxolinic acid, have been indicated for the control of vibriosis in turbot (Scophthalmus maximus). From in vitro an...
We have designed and synthesized both the quinoline and naphthalene based molecules influenced by the unique structural make-up of mefloquine and TMC207, respectively. These compounds were evaluated for their anti-mycobacterial activity against drug sensitive Mycobacterium tuberculosis H37Rv in ...
A series of 2-[4-cyano-(3-trifluoromethyl)phenyl amino)]-4-(4-quinoline/coumarin-4-yloxy)-6-(fluoropiperazinyl)-s-triazines has been synthesized by a simple and efficient synthetic protocol. The antimicrobial activity of the compounds was studied against several bacteria (Staphylococcus aureus M...
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