Tetrazines tetrazoles

When the conipus mentioned above are connected to substances like tetrazine, tetrazole, triazine, triazole, benzene, pyridine etc, there seems to be no definite rule for naming the resulting compds, and, although some of them have as many as 6 different names, none of them... 

A similar system to that discussed in ref. [44] (tetrazine, tetrazole and pyrrole) has been studied by Manalo et al. [47] by means of the CSGT/ASC method at the B3LYP/6-311++G(2d,2p) level. The cavity was defined by using the Pauling radius for each solute atom. In this paper the effects of geometric relaxation (indirect effects) are found to be small, and the direct influence of the intensity of the solvent reaction field on the shielding constants dominates. However, the indirect effect has been found to be important for N, A-dimethylacetamidine in IEF-PCM calculations [48],... 

When the compds mentioned above are connected to substances like tetrazine, tetrazole, triazine, triazole, benzene. 

The azide-tetrazole isomerism in several polyazido 1,3,5-triazines and diazido-1,2,4,5-tetrazines has been investigated by ab initio quantum chemical methods <06EJI2210>. 

Keywords Tetrazoles Tetrazines High energy density materials Nitrogen-rich compounds Energetic materials... 

N 76.35% yel crysts(dihydrate), mp(loses w on being heated in vac ca 130°), dec on heating to higher temp insol in w, ale, eth, acet, ligroin or benz on oxidation yields 3,6-bis(2H -tetrazolyl-5)-l,2,4,5-tetrazine on heating with coned HC1, decomp into tetrazole, hydrazine and C02 was prepd from various derivs of tetrazole, such as 5-cyanotetrazole, by... 

Bis(2H-tetrazol-5-yl)-1,4-dihydro-1,2,4,5-tetrazine, 1434c Bis(hydrazine)[butanedioato(2—)]cadmium, see Dihydrazinecadmium(II)... 

In the first step the formation of 5-phenyl-2-TMS-l, 2,3,4,-tetrazole (374) occurs which can either be hydrolyzed to 5-phenyl-l,2,3,4-tetrazole (375) or pyrolysed to give a N-TMS-benzaldehydehydrazonium compound (376). 376 can furthermore either dimerize to form 3,6-diphenyl-l,2,5-bis(TMS)-2,5-dihydro-l,2,4,5-tetrazine (377) and after subsequent hydrolysis and oxidation 3,6-diphenyl-l,2,4,5-tetrazine (3 79) or on the other hand react with a further equivalent 373 yielding in the last step 3,5-diphenyl-l, 2,4-triazole (381)214 (Scheme 55). 

This procedure is also efficient for the synthesis of other fused tetrazoles, such as ethyl l,5-dihydro-5-oxo-7-phcnyl-8-(phenylsulfonyl)tetrazolo[ 1,5- pyridine-6-carboxy late <2000J(P1)3686>. At the same time, the unexpected azido-tetrazolo tautomerization and reversible tetrazolo transformation of 3,6-diazido-l,2,4,5-tetrazine are remarkable compared to all other polyazido heteroaromatic high-nitrogen C-N compounds <2005JA12537>. 

Another reaction to yield unsymmetrically substituted 1,2,4,5-tetrazines is that of sodium ethoxide in ethanol with S-( 1 -aryl-1 7/-tetrazol-5-y 1) lV-(/Miitrophenyl)benzothiohydrazonates (11). The mechanism of the reaction is complex and seems to involve a competitive Smiles rearrangement, fragmentation and dimerisation (Scheme 7) [95JCR(S)224],... 

Another tetrazine derivative, 3,6-bis(lH-l,2,3,4-tetrazole-5-ylamino)-s-tetrazine, has recently been prepared from (Ms(pyrazolyl)tetrazine (Fig. 1.16). It is interesting to note that the tetrazine derivatives potentially form strong intermolecular interac-... 

---