We report here the first study of the protonated, neutral form of tetrazoles as anion binding functional groups. Our studies reveal them to be capable of binding anions with extremely high potency in polar solutions. In studying carboxylic acid-containing congeners, we find a remarkable discrepancy: a strictly analogous acid-containing host binds anions > or = 50,000-fold more weakly than the t...

A concise two step synthesis of tetrazole containing macrocycles from readily accessible starting materials is presented. The first step comprises a chemoselective amidation of amino acid derived isocyanocarboxylicacid esters with unprotected symmetrical diamines to afford diverse α-isocyano-ω-amines. In the second step, the α-isocyano-ω-amines undergo an Ugi tetrazole reaction to close the mac...

Excited-state dynamics of two novel energetic nitrogen-rich aryl-tetrazole molecules were investigated using femtosecond transient absorption spectroscopy. The internal conversion from Sn to S1 occurred in the 0.3–0.5 ps; vibrational relaxation within states transpired a 1.8–5 ps time scale and, subsequently, intersystem crossing was observed with lifetimes 7.8 and 129 ps. nitro-substituted tet...

tetrazole-containing compounds have been the subject of much recent research because of theirpotential as high energy density materials (hedms). in this work, theoretical studies on the 1htetrazolylderivatives of tetrahedrane were done at the density functional theory (dft) method withthe 6-31g(d) basis set without any symmetrical restrictions in order to find the structural andenergetically pr...

An improved procedure is described for the efficient and high-yield (76-91%) synthesis of nucleoside diphosphate sugars from the readily available nucleoside 5'-monophosphomorpholidate and sugar 1-phosphate in the presence of 1H-tetrazole. Comparative kinetic investigations by means of (31)P NMR spectroscopy with different additives (1,2,4-triazole, acetic acid, N-hydroxysuccinimide, 4-(dimethy...

Title of Dissertation: Probing the Dynamics of Ultra-Fast Condensed State Reactions in Energetic Materials Nicholas W. Piekiel, Doctor of Philosophy, 2012 Directed By: Michael R. Zachariah, Professor Department of Mechanical Engineering and Chemistry Energetic materials (EMs) are substances with a high amount of stored energy and the ability to release that energy at a rapid rate. Nanothermites...

Abstract A series of tetrazole-linked dibenzo[b,f][1,4]oxazepines is synthesized through a short sequence involving an Ugi tetrazole reaction. The intermediate undergoes potassium carbonate mediated SNAr cyclization, followed by oxidation to afford the target tricyclic heterocyclic scaffold. optimization, scope and limitations this two-step efficient methodology are investigated. 1000-member li...

A method of synthesis of pyrrolo[1,2-a][1,4]benzodiazepines is described. This method is based on the recyclization of N-(furfuryl)anthranilamides under treatment with an aq. HCl/AcOH system and allows one to form both diazepine and pyrrole rings in one step. The reaction proceeds via furan ring opening into a diketone moiety followed by consecutive interaction of the NH(2)-group with both carb...

Cypermethrin a widely used insecticide of Pyrethroids (type II) group, was administered in mice at two dose levels (1/10 of LD50 i.e. 2.5 mg/kg and 1/5 of LD50 i.e. 5.0 mg/kg) and pharmacodynamic interactions of insecticide were studied with centrally acting drugs viz. pentobarbital sodium, amphetamine, pentylenetetrazole, acepromazine and analgin. Cypermethrin pretreatment potentiated the acti...

Pre-organised tricarboxylate ligands based on 6-amino-perhydro-1,4-diazepine bind (68)Ga rapidly and selectively in acetate buffer at pH 4 to 7, forming kinetically stable complexes suitable for use in PET imaging.