Category: 14544-45-7

Gareev, G. A. published the artcileVinyl ethers of nitramino alcohols, Category: triazoles, the publication is Zhurnal Organicheskoi Khimii (1991), 27(11), 2261-8, database is CAplus.

Vinyl exchange reaction of nitramino alcs. with vinyl acetate catalyzed by Hg(OAc)₂ and BF₃.Et₂O, and also dehydrochlorination of 2-chloroethyl ether of 2-nitro-2-aza-1-propanol by bases in the presence of phase-transfer catalysts or by the reaction of K salts of methylnitramine with vinyl ethers of 2-chloroethanol or ethylene glycol mononitrate gives vinyl ethers containing a nitramine fragment. Electrophilic addition reactions of carboxylic acids and heterocyclic NH-acids at the multiple bond of the vinyl ether of 2-nitro-2-aza-1-propanol were studied. In addition to the normal addition reaction at the multiple bond substitution of the vinyloxy group on the acid residue also takes place. Thus, treating MeN(NO₂)CH₂OCH:CH₂ with azoles I (R = Ph, Me, X = Y = N; R = NO₂, X = N, Y = CH; R = NO₂, X = CH, Y = N) gave 14-85% azoles II.

Zhurnal Organicheskoi Khimii published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Category: triazoles.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Pryde, David C. published the artcileNovel Selective Inhibitors of Neutral Endopeptidase for the Treatment of Female Sexual Arousal Disorder. Synthesis and Activity of Functionalized Glutaramides, Application In Synthesis of 14544-45-7, the publication is Journal of Medicinal Chemistry (2006), 49(14), 4409-4424, database is CAplus and MEDLINE.

Female sexual arousal disorder (FSAD) is a highly prevalent sexual disorder affecting up to 40% of women. Efforts to identify a selective neutral endopeptidase (NEP) inhibitor as a potential treatment for FSAD are reported. The rationale for this approach, together with a description of the medicinal chem. strategy, lead compounds, and SAR investigations are detailed. In particular, the strategy of starting with the clin. precedented selective NEP inhibitor, Candoxatrilat, and targeting low mol. weight and relatively polar mono-carboxylic acids is described. This led ultimately to the prototype development candidate I, for which detailed pharmacol. and pharmacokinetic parameters are presented.

Journal of Medicinal Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Application In Synthesis of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Politzer, Peter published the artcileRelationships between dissociation energies and electrostatic potentials of C-NO₂ bonds: applications to impact sensitivities, Related Products of triazoles, the publication is Journal of Molecular Structure (1996), 419-24, database is CAplus.

New data for nitroalkanes support earlier results for nitroheterocycles indicating that C-NO₂ dissociation energies are related to the computed electrostatic potential maxima on the mol. surfaces above these bond regions. This presumably explains the well-established involvement of the electrostatic potential in impact sensitivity correlations; a second factor, for unsaturated systems, is the internal charge separation in the mol.

Journal of Molecular Structure published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Related Products of triazoles.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Politzer, Peter published the artcileC-NO₂ dissociation energies and surface electrostatic potential maxima in relation to the impact sensitivities of some nitroheterocyclic molecules, Formula: C2H2N4O2, the publication is Molecular Physics (1995), 86(2), 251-5, database is CAplus.

A non-local d. functional procedure (GAUSSIAN 92/DFT, BLYP, 6-13^**) has been used to compute the dissociation energies of the C-NO₂ bond in five unsaturated nitro heterocyclic mols. These show a definite correlation with the maximum of the surface electrostatic potentials above these bonds, which amy explain why these potential maxima are one of the properties that appear in an earlier anal. representation of the measured impact sensitive of nitroheterocyclic compounds

Molecular Physics published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Formula: C2H2N4O2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Shainyan, B. A. published the artcileTriflamidomethyl and oxymethyl derivatives of 1,2,3-triazoles, Name: 5-Nitro-1H-1,2,3-triazole, the publication is Russian Journal of General Chemistry (2015), 85(10), 2309-2312, database is CAplus.

The reactions of some 1,2,3-triazoles with formaldehyde and triflamide have been studied. N-(Hydroxy-methyl)-2-phenyl-2H-1,2,3-triazole-4-carboxamide reacted with triflamide in sulfuric acid to afford 2-phenyl-2H-1,2,3-triazole-4-carboxamide, bis(triflamido)methane, and N,N-bis[(trifluoromethylsulfonyl)aminomethyl]-triflamide. In the presence of K₂CO₃, 4-amino-5-nitro-2-ethyl-1,2,3-triazole was reduced with hydrazine hydrate to 2-ethyl-2H-1,2,3-triazole-4,5-diamine, and with formaldehyde in the presence of K₂CO₃, it resulted in N,N-bis(2-ethyl-5-nitro-2H-1,2,3-triaxol-4-yl)methanediamine, which reacted with paraformaldehyde under acidic conditions with the formation of 4-aminomethyl-5-nitro-2-ethyl-1,2,3-triazole.

Russian Journal of General Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C14H28O5S, Name: 5-Nitro-1H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Filippova, Yuliya V. published the artcileAcid Catalyzed tert-Butylation and Tritylation of 4-Nitro-1,2,3-triazole: Selective Synthesis of 1-Methyl-5-nitro-1,2,3-triazole via 1-tert-Butyl-4-nitro-1,2,3-triazole, Computed Properties of 14544-45-7, the publication is Journal of Heterocyclic Chemistry (2012), 49(4), 965-968, database is CAplus.

4-Nitro-1,2,3-triazole was found to react with tert-butanol in concentrated sulfuric acid to yield 1-tert-butyl-4-nitro-1,2,3-triazole as the only reaction product, whereas tert-butylation and tritylation of 4-nitro-1,2,3-triazole in presence of catalytic amount of sulfuric acid in benzene was found to provide mixtures of isomeric 1- and 2-alkyl-4-nitro-1,2,3-triazoles with predominance of N2-alkylated products. A new methodol. for preparation of 1-alkyl-5-nitro-1,2,3-triazoles from 1-tert-butyl-4-nitro-1,2,3-triazole via exhaustive alkylation followed by removal of tert-Bu group from intermediate triazolium salts was demonstrated by the example of preparation of 1-methyl-5-nitro-1,2,3-triazole.

Journal of Heterocyclic Chemistry published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Computed Properties of 14544-45-7.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Baraboshkin, N. M. published the artcileTheoretical estimation of the sublimation enthalpy of azoles, Safety of 5-Nitro-1H-1,2,3-triazole, the publication is Russian Chemical Bulletin (2021), 70(10), 1893-1899, database is CAplus.

The crystal structures of number of azoles were modeled using the quantum chem. and Atom-Atom potential methods. The crystal packing was carried out by the local minimization of the crystal structure in the exptl. space group, for which purpose the energy of the crystalline lattice was described by a set of van der Waals interactions in the form of the Buckingham 6-exp potential and Coulomb electrostatic interactions. The enthalpies of sublimation of the calculated and exptl. crystals are satisfactorily consistent. The prediction for the compounds with earlier unknown enthalpies of sublimation was performed on the basis of the obtained data.

Russian Chemical Bulletin published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Safety of 5-Nitro-1H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Maw, Graham N. published the artcileThe discovery of small molecule inhibitors of neutral endopeptidase. Structure-activity studies on functionalized glutaramides, Product Details of C2H2N4O2, the publication is Chemical Biology & Drug Design (2006), 67(1), 74-77, database is CAplus and MEDLINE.

A series of small mol. glutaramides were synthesized and evaluated for potency against canine and human neutral endopeptidase using target criteria of mol. weight <400 and log P between 2 and 4.5 to maximize the likelihood of achieving good oral absorption. The activity of a prototype compound, chiral (2R)-2-[[1-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]cyclopentyl]methyl]pentanoic acid was reported. The structure-activity relationship (SAR) investigations described in this paper led to the identification of an Et 1,3,4-thiadiazole glutaramide which demonstrated good neutral endopeptidase potency, selectivity and excellent oral absorption in the rat.

Chemical Biology & Drug Design published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Product Details of C2H2N4O2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Khisamutdinov, G. Kh. published the artcileα-Azidopolynitroalkanes. Synthesis and vibrational spectra, Name: 5-Nitro-1H-1,2,3-triazole, the publication is Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) (1997), 46(2), 324-327, database is CAplus.

Methods for the preparation of α-azidopolynitroalkanes by reactions of polynitroalkanes or α-(difluoroamino)polynitroalkanes with NaN₃ were developed. In the case of C(NO₂)₄, 1 or 2 nitro groups can be substituted, depending on the reaction conditions. Reaction of MeC(NO₂)₃ with NaN₃ affords nitro-1,2,3-triazole, together with MeC(NO₂)₂N₃. The IR spectra of α-azidopolynitroalkanes were studied.

Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Name: 5-Nitro-1H-1,2,3-triazole.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics

Wei, Qing-guo published the artcileA B3LYP and MP2(full) theoretical investigation into the strength of the C-NO₂ bond upon the formation of the molecule-cation interaction between Na⁺ and the nitro group of nitrotriazole or its methyl derivatives, COA of Formula: C2H2N4O2, the publication is Journal of Molecular Modeling (2013), 19(1), 453-463, database is CAplus and MEDLINE.

The changes of bond dissociation energy (BDE) in the C-NO₂ bond and nitro group charge upon the formation of the mol.-cation interaction between Na⁺ and the nitro group of 14 kinds of nitrotriazoles or Me derivatives were investigated using the B3LYP and MP2(full) methods with the 6-311++G**, 6-311++G(2df,2p) and aug-cc-pVTZ basis sets. The strength of the C-NO₂ bond was enhanced in comparison with that in the isolated nitrotriazole mol. upon the formation of mol.-cation interaction. The increment of the C-NO₂ bond dissociation energy (ΔBDE) correlated well with the mol.-cation interaction energy. Electron d. shifts anal. showed that the electron d. shifted toward the C-NO₂ bond upon complex formation, leading to the strengthened C-NO₂ bond and the possibly reduced explosive sensitivity.

Journal of Molecular Modeling published new progress about 14544-45-7. 14544-45-7 belongs to triazoles, auxiliary class Triazoles, name is 5-Nitro-1H-1,2,3-triazole, and the molecular formula is C3H8N2S, COA of Formula: C2H2N4O2.

Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics