Search results for " molecule"
showing 10 items of 1523 documents
Efficient Synthesis of 1,4,7-Triazacyclononane and 1,4,7-Triazacyclononane-Based Bifunctional Chelators for Bioconjugation
2014
The reaction of diethylenetriamine with chloroacetaldehyde yielded a bicyclic aminal intermediate for the synthesis of 1,4,7-triazacyclononane (TACN), a macrocyclic polyamine the derivatives of which find applications as catalysts, bleaching agents, and chelators for medical imaging. This new synthetic protocol outperforms the synthetic methods described so far because it does not involve any cyclization step. Moreover, this aminal intermediate allowed access to a new family of TACN derivatives functionalized on the carbon skeleton, for example, C-aminomethyl-TACN. This novel compound is a precursor of valuable bifunctional chelating agents for nuclear medicine, in particular, for the prepa…
Novel Applications of Dynamic NMR in Organic Chemistry
2004
Abstract This review article is oriented on NMR applications in studying various dynamic processes of organic molecules. The topic as a whole is too large to be covered exhaustively in one article or by one author. Therefore, the literature searches are limited mainly for the years 1999–2001. Further, many interesting branches joined essentially with organic chemistry such as supramolecular and organometallic chemistry are left outside this article because there exist recent reviews on these topics. Similarly, the theoretical background of dynamic NMR is not included. The nature of dynamic NMR itself is changing with the recent progress in computational possibilities to estimate the differe…
Fluoride Ion Receptors: A Comparison of a Polyammonium Monocycle Versus its Bicyclic Corollary
2001
Two polyammonium macrocyclic receptors, the monocyclic 3,6,9,17,20,23-hexaazatricyclo [23.3.1.111,15]triaconta-1(29), 11,13,15(30),25,27-hexaene (L1) and its bicyclic analog 1,4,12,15,18,26,31,39-o...
Synthesis and NMR configurational study of imidazo[2,1-b]thiazoles from 1H-1,4-diazepine-7(6H)-thiones
1993
Abstract A thermal intramolecular cyclization of 1-vinyl2,3-dihydro-3 H -imidazole-2-thiones to imidazo[2,1-b]thiazoles is reported. A heteronuclear correlation study of these systems was made in order to establish the configuration of the products.
Electrophilic substitution and cyclization of 2,2′-bis(N-methylindolyl): A simple access to potential protein kinase C inhibitor
1994
A strategy is described for the synthesis of functionalized and cyclized 2,2′-bisindolyl derivatives related to several basic systems of natural products. The starting 2,2′-bis(N-methylindolyl) (8) reacts with a variety of electrophiles and electrophilic dienophiles to furnish the novel, functionalized and cyclized bisindolyl derivatives 9–16. In addition, some reactivity and structural aspects are discussed; an X-ray crystallographic analysis of the 2,2′-bisindolyl 8 provided valuable information for the conformational analyses.
Thermal rearrangements of 1,2-dialkoxybenzenes by flash vacuum pyrolysis
1995
Flash vacuum pyrolysis of 1,2-dialkoxybenzenes 1a-c leads to the liberation of alkanes from the interacting side chains. A rearrangement of the skeleton yields the o-hydroxy carbonyl compounds 2 and 4. The generation of phenol 3 can be rationalized by a decarbonylation. The latter reaction is the sole process which can be observed for the bicyclic starting compound 9.
Studies in organic mass spectrometry. IV. Electron impact induced fragmentation of 2-substituted 3-(5-isoxazolyl)-4(3H)-quinazolinones of pharmaceuti…
1984
The fragmentation under electron impact of thirteen 2-substituted-3-(5-isoxazolyl)-4(3H)-quinazolinones has been investigated with the aid of metastable ion detection and high resolution measurements. Molecular ions are always abundant and the main primary fragmentation route involves acetonitrile elimination through isoxazole ring opening. The other common processes, particularly those leading to the abundant [R-C8H4N2]+ ion (b or b'), as well as those due to the nature of the 2-substituent are reported and discussed.
DFT Study on the Complex Reaction Networks in the Conversion of Ethylene to Ethylidyne on Flat and Stepped Pd
2009
Adsorption and conversion of ethylene to ethylidyne on flat (111) and stepped Pd surfaces have been studied with the aim to unravel the complex chemistry of small organic molecules on Pd. These pro...
Topical Anti-Inflammatory Lignans from Haplophyllum hispanicum Haplophyllum hispanicum
1996
The present paper reports the results of the methanol extract of Haplophyllum hispanicum Spach on single or repeated local 12-O-tetradecanoylphorbol acetate (TPA) administration and in the oxazolone-induced contact-delayed hypersensitivity mouse ear edemas. Two topical anti-inflammatory aryl naphthalide lignans were isolated from the active fractions of the methanol extract. They were identified by spectroscopic methods, including 13C NMR and heteronuclear multiple bond correlation (HMBC), as diphyllin acetyl apioside and tuberculatin. The former was the most active on acute TPA edema with a ID50 of 0.27 μmol/ear
Unequivocal determination of isomeric products of reaction between 3-methyl-1-phenyl-2-pyrazoline-4,5-dione and aromatic 1,2-diamines
1999
Abstract Regioselectivity of condensation of 3-methyl-1-phenyl-2-pyrazoline-4,5-dione with aromatic 1,2-diamines is dependent on substituent present. Isomeric 3-methyl-1-phenyl-1H-pyrazolo-[3,4-b]-quinoxaline products are distinguished by comparison of their 2D z-gradient selected 1H, 15N HMBC (Heteronuclear Multiple Bond Correlation) spectra. Multiplicity of H5 signal, which is recognizable by the cross-peak for CH3(3)-N4 and H5-N4 interactions, indicates substitution in position 6 or 7. The applied method is expected to be useful for structure determinations in other positional isomers.