Search results for "Nonane"
showing 10 items of 22 documents
Supramolecular assemblies and photophysical properties of ionic homo- and heteronuclear metallophilic complexes
2019
Abstract The synthesis of two dinuclear ionic complexes with chemical formula [Au(PR 3 ) 2 ][Au(C ≡ CC 5 H 4 N-4) 2 ] that contain the water soluble phosphines, PR 3 , PTA (1, 3,5-triaza-7-phosphaadamantane, 1 ) and DAPTA (3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane, 2 ) is herein described. The differences on their intermolecular reorganization have been analyzed and compared with the previously reported for the neutral complexes [Au(PR 3 )(C ≡ CC 5 H 4 N-4)]. It has been evidenced that the reorganization of the ligands giving rise to the dinuclear ionic complexes produces a complete change in the properties giving rise to Au⋯Au intermolecular assemblies. These aurophilic conta…
Synthesis of a Tetraazido-Substituted 2-Tetrazene from 1,5-Cyclooctadiene and Iodine Azide
1997
In contrast to the addition of iodine azide to cyclooctene (1) or 1,3-cyclooctadiene (5), its reaction with 1,5-cyclooctadiene (12) leads mainly to the surprisingly stable tetraazido-substituted 2-tetrazene 14 The structure of this was established by 15N-NMR studies and an X-ray structural analysis. Treatment of 14 with hydrochloric acid yields the diazido-substituted 9-azabicyclo[3.3.1]nonane 20.
Synthesis and studies of new optimised chelating agents for targeting chemokine receptor CXCR4
2012
The objective of this thesis work was to develop CXCR4-targeted tools to localize and treat cancer at an early stage. In this line, we investigated the synthesis of new target-specific radiopharmaceuticals. The work focused on two main axes, i.e. the chelating agent and the carrier, by using the know-how and the expertise of our group in polyazacycloalkanes synthesis and functionalization. In the first part, we were interested in developing new macrocyclic scaffolds of high potential for copper and gallium chelation. We first focused on the development of a new powerful route towards selectively functionalized constrained homocyclens. The second part was based on C-functionalized 1,4,7-tria…
Synthesis of 8-aminomorphans with high KOR affinity
2021
2-Azabicyclo[3.3.1]nonanes (morphans) with a (3,4-dichlorophenyl)acetyl group at 2-position and a pyrrolidino moiety at 8-position were designed as conformationally restricted analogs of piperidine-based KOR agonists. The synthesis started with 4-oxopiperidine-2-carboxylic acid comprising 13 reaction steps. At first the ketone 10 was transformed into diester 7 bearing a propionate side chain. Dieckmann condensation of diester 7 to afford bicyclic enolester 14 and subsequent Krapcho deethoxycarbonylation represent the key steps of the synthesis. The enantiomeric pyrrolidines (1S,5R,8R)-5a and (1R,5S,8S)-5a were separated by chiral HPLC. The eutomer (1S,5R,8R)-5a showed high KOR affinity (K-i…
The Important Role of the Nuclearity, Rigidity, and Solubility of Phosphane Ligands in the Biological Activity of Gold(I) Complexes
2018
A series of 4-ethynylaniline gold(I) complexes containing monophosphane (1,3,5-triaza-7-phosphaadamantane (pta; 2), 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane (3), and PR3 , with R=naphthyl (4), phenyl (5), and ethyl (6)) and diphosphane (bis(diphenylphosphino)acetylene (dppa; 7), trans-1,2-bis(diphenylphosphino)ethene (dppet; 8), 1,2-bis(diphenylphosphino)ethane (dppe; 9), and 1,3-bis(diphenylphosphino)propane (dppp; 10)) ligands have been synthesized and their efficiency against tumor cells evaluated. The cytotoxicity of complexes 2-10 was evaluated in human colorectal (HCT116) and ovarian (A2780) carcinoma as well as in normal human fibroblasts. All the complexes showed a hi…
Coarse-graining dipolar interactions in simple fluids and polymer solutions: Monte Carlo studies of the phase behavior
2009
In this paper we investigate the phase diagram of pure dipolar substances and their mixtures with short alkanes, using grand canonical Monte Carlo simulations of simplified coarse-grained models. Recently, an efficient coarse-grained model for simple quadrupolar molecules, based on a Lennard-Jones (LJ) interaction plus a spherically averaged quadrupolar potential, has been shown to be successful in predicting single-component and mixture phase diagrams. Motivated by these results, we investigate the phase diagrams of simple dipolar molecules (and their mixtures with alkanes) using a spherically averaged potential. First, we test the model on pure components. A generalized (state-dependent) …
Highly regio- and stereoselective iodocyclization of chiral 3-alkoxycarbonyl-4-propenyl-2,2-dimethyl-1,3-oxazolidines: a computational investigation
1999
The iodocyclization of allylic carbamates 3a and 3b proceeded with high regio- and stereoselection to give 2-oxobicyclo[4.3.0]nonane 5a as the major product. Both the regio- and diastereoselection of the reaction were investigated with the help of molecular mechanics and quantomechanical calculations. The energetic difference between the competing transition states TS-5a and TS-5b is in good agreement with the experimental results and from the calculated transition structures it appears that steric factors direct the discrimination.
CCDC 914061: Experimental Crystal Structure Determination
2017
Related Article: Lorand Kiss, Melinda Nonn, Reijo Sillanpaa, Santos Fustero, Ferenc Fulop|2013|Beilstein J.Org.Chem.|9|1164|doi:10.3762/bjoc.9.130
CCDC 662399: Experimental Crystal Structure Determination
2008
Related Article: S.V.Kolotilov, D.Schollmeyer, L.K.Thompson, V.Golub, A.W.Addison, V.V.Pavlishchuk|2008|Dalton Trans.||3007|doi:10.1039/b802822b
CCDC 662400: Experimental Crystal Structure Determination
2008
Related Article: S.V.Kolotilov, D.Schollmeyer, L.K.Thompson, V.Golub, A.W.Addison, V.V.Pavlishchuk|2008|Dalton Trans.||3007|doi:10.1039/b802822b