Triazole chemical structure

We have also reported a new explosive called, N,N -bis(l,2,4-triazol-3-yl)-4,4 -diamino-2,2, 3,3,5,5,6,6,-oclarnlroazobenzene (BTDAONAB) [Structure (2.39)], prepared on a laboratory scale and characterized for its thermal and explosive characteristics [25]. This explosive possesses a remarkable thermal stability which is better than the most thermally stable explosive, TATB and at the same time, its VOD is more than that of TATB. The chemical structures of some newly reported explosives are depicted in Figure 2.3. 

Fig. 13 Chemical structure of indole derivatives containing a triazole moiety [130,131]...

Amino-1,2,4-triazole, which has a chemical structure very similar to that of 3-(A-salicyloyl)amino-1,2,4-triazole, shows no crosslinking ability under similar conditions. ... 

Fig. 9 Chemical structures of the heterocyclic compounds a Isoxazole, b Imidazole, c Indole, d Quinoline, and e Triazole...

Chemical Structure aprepitant, see Figure 100.1 fosaprepitant, see Figure 100.2 Systematic (lUPAC) Names aprepitant 5-([(2P,3S)-2-((P)-l-[3,5-bis(trifluoromethyl)phenyl] ethoxy)-3-(4-fluorophenyl)morpholino] methyl) IH-1,2,4-triazol-3(2H)-one fosaprepitant [3- [(2P,3S)-2-[(lP)-l-[3,5-bis (trifluorom ethyl) phenyl] ethoxy] - 3- (4-fluorophe-nyl)morpholin-4-yl]methyl -5-oxo-2H-l,2,4-tria-zol-l-yl]phosphonic acid... 

The selection of RH7988 is the result of a moderately extensive study of related compounds. Let s look a little at the variation of insecticidal activity with chemical structure. Let us focus on each of the three substituents of the triazole starting with the carbamoyl group. 

Schematic representation of self-assemble monolayer (SAM) formation, SAM-/ -CD formation via the click reaction, the adsorption/desorption of ferrocene-modified polymers (1), and the chemical structures of HS-(CH2)n-EG6-N3 (2), HS-(CH2)n-EG4-OH (3), ferrocene-derivated PAH (4), ferro-cene-derivated CHI (5), alkyne-functionalized / -CD (6), ethynylferrocene (7), and triazole formation (8). (Reprinted with permission from Dubacheva et at. 2010. Electrochemically Controlled Adsorption of Fc-Functionalized Polymers on beta-CD-Modified Self-Assembled Monolayers. Langmuir 26 (17) 13976-13986, copyright (2010) American Chemical Society.)...

Figure 6.3 Chemical structures of anticancer agent created via triazole linkage.

From 4-phenylthiosemicarbazide Freund and HempeH obtained a product to which they assigned the structure of a tetrazolinethione. When heated in alkaline solution it was isomerized to a compound which, on the basis of adequate chemical evidence, was considered to be 5-mercapto-l-phenyltetrazole. According to Lieber and Ramach-andran, however, the initial product is 5-phenylamino-l,2,3,4-thia-triazole. Lieber and Slutkin have also converted some di(thiosemi-... 

Fragmentary ultraviolet spectral data are available for 3-amino-1,2,4-triazole. Early chemical data on 3,5-diamino-2-phenyl-l,2,4-triazole were interpreted on the basis of the diimino structure 201, but ultraviolet spectral evidence was later stated to favor either structure 202 or 203. ... 

In studies aimed at understanding the influence of structure on the reactivity of diazonium ions, Diener and Zollinger (1986) found that the NMR chemical shifts of the aromatic or heteroaromatic parent compounds provided a novel probe. This method can be applied both to substituted benzenediazonium ions and to various heteroaromatic diazonium ions, and it also provides semiquantitative information on the relative reactivities of the l,3,4-triazole-2-diazonium ion (12.5) and its deprotonated zwitterion (12.6). 

Abstract In this chapter, selected results obtained so far on Fe(II) spin crossover compounds of 1,2,4-triazole, isoxazole and tetrazole derivatives are summarized and analysed. These materials include the only compounds known to have Fe(II)N6 spin crossover chromophores consisting of six chemically identical heterocyclic ligands. Particular attention is paid to the coordination modes for substituted 1,2,4-triazole derivatives towards Fe(II) resulting in polynuclear and mononuclear compounds exhibiting Fe(II) spin transitions. Furthermore, the physical properties of mononuclear Fe(II) isoxazole and 1-alkyl-tetrazole compounds are discussed in relation to their structures. It will also be shown that the use of a,p- and a,C0-bis(tetrazol-l-yl)alkane type ligands allowed a novel strategy towards obtaining polynuclear Fe(II) spin crossover materials. 

Fig. 3 Projection showing the structure of [Cu(4-(2 -hydroxy-ethyl)-l,2,4-triazole)3] (C104)2.3H20 at 298 K (reprinted with permission from [30]. Copyright (1997) American Chemical Society)... 

Nitro-l,2,4-triazol-5-one (NTO) [Structure (2.49)] or oxynitrotriazole (ONTA)has been reported as another IHE coupled with better performance [152-157]. Almost all aspects of NTO-synthesis, structural aspects, chemical and explosive properties including thermal behavior have been investigated [158-161]. NTO exists in two polymorphic forms, that is, -form and P-form. It has been established that a-NTO is the stable and dominating form whereas P-NTO is only found in the product on recrystallization of NTO from a methanol or ethanol/methylene chloride mixture [162]. French researchers have recently reported its evaluation as an explosive for warhead filling without a binder and also as a PBX [155]. Further, synthesis of NTO is easy consisting of only two steps (Scheme 2.9) and uses inexpensive starting materials. 

There is a growing interest in the use of 15N NMR spectroscopy for elucidation of various structural problems of azole chemistry, especially tautomerism. For example, the mole fractions of the prototropic tautomers were obtained from the 15N chemical shifts of the NH tautomers and the corresponding N-methyl derivatives. By this method, the average mole fraction for the 2-NH tautomer of benzotriazole is 0.02 in both CDC13 and DMSO, and that of 1,2,3-triazole is 0.34 in CDC13 and 0.55 in DMSO (82JOC5132). 

Chemical Name Benzonitrile, 4,4 -(lH-l,2,4-triazol-l-ylmethylene)bis-Common Name Letrozole Structural Formula ... 

In addition to the trifluoromethylphenyl sterol biosynthesis inhibitors discussed in Section 2.1.1.3, a number of fluorine phenyl-containing azoles were introduced in the years 1984 through 1993. Though these molecules share some common structural features, such as the triazole heterocycle and a 4-fluorophenyl ring in at least three of the four fungicides shown below, each also has unique chemical features. For instance, in the case of flusilazole (Punch , Nustar , Triumph , Olymp ) [164], a silicon atom is present. This represented that first time silicon... 

The aromatic character of [1,2,3]triazolo[4,5-cf]-l,2,3-triazole and its 2,5-dioxide has been the subject of a quantum chemical study thus MNDO/3 and MNDO calculations present the opinion that the parent compound has antiaromatic character with Clh and not D2h symmetry, while its 2,5-dioxide has a preference for aromatic structure and Dlh symmetry <9iizvi825>. 

---