Month: December 2022

Catalyst-free one-pot, four-component approach for the synthesis of di- and tri-substituted N-sulfonyl formamidines was written by Liu, Ai-Ran;Zhang, Lei;Li, Jiao;Wusiman, Abudureheman. And the article was included in RSC Advances in 2021.Electric Literature of C5H7N3O2 This article mentions the following:

A straightforward one-pot, multicomponent approach was developed to synthesize di- and tri-substituted N-sulfonyl formamidines from sulfonyl chlorides, NaN₃, Et propiolate, and primary/secondary amines under mild conditions without catalysts or additives. Structural anal. of the di-substituted sulfonyl formamidines indicated formation of the E-syn/anti isomeric form. Tri-substituted analogs only formed E-isomers. In the experiment, the researchers used many compounds, for example, Ethyl 1H-1,2,3-triazole-5-carboxylate (cas: 40594-98-7Electric Literature of C5H7N3O2).

Ethyl 1H-1,2,3-triazole-5-carboxylate (cas: 40594-98-7) belongs to triazole derivatives. Triazoles consist of a five-membered ring containing three nitrogen atoms and are biologically active, especially as antifungal, antimicrobial and enzyme inhibitors. Both the triazoles and their derivatives have significant biological properties including antimicrobial, antiviral, antitubercular, anticancer, anticonvulsant, analgesic, antioxidant, anti-inflammatory, and antidepressant activities.Electric Literature of C5H7N3O2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Multi-step Phase Transformation from Metal-Organic Frameworks to Inorganic Compounds for High-Purity Th(IV) Generation was written by Huang, Yi-wei;Feng, Han;Xiong, Xiao-hong;Luo, Feng. And the article was included in Inorganic Chemistry in 2022.Synthetic Route of C9H7N3O2 This article mentions the following:

The generation of high-purity thorium is the precondition for next-generation nuclear energy; however, this remains a challenging task. To this end, the authors present herein an ultrasimple technique with the combination of crystallization plus phase transformation. Crystallization into ECUT-68 is found to show almost 100% selective uptake of Th(IV) over rare earth and UO₂²⁺ ions, while multistep phase transformation from metal-organic frameworks (MOFs) to inorganic compounds is found to directly generate inorganic Th(IV) compound and then Th(IV) solution, suggesting its superior application in the generation of high-purity thorium. In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Synthetic Route of C9H7N3O2).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) belongs to triazole derivatives. The many free lone pairs in triazoles make them useful as coordination compounds, although not typically as haptic ligands. Many triazoles have antifungal effects: the triazole antifungal drugs include fluconazole, isavuconazole, itraconazole, voriconazole, pramiconazole, ravuconazole, and posaconazole and triazole plant-protection fungicides include epoxiconazole, triadimenol, myclobutanil, propiconazole, prothioconazole, metconazole, cyproconazole, tebuconazole, flusilazole and paclobutrazol.Synthetic Route of C9H7N3O2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Additive-Induced Supramolecular Isomerism and Enhancement of Robustness in Co(II)-Based MOFs for Efficiently Trapping Acetylene from Acetylene-Containing Mixtures was written by Ye, Yingxiang;Chen, Shimin;Chen, Liangji;Huang, Jitao;Ma, Zhenlin;Li, Ziyin;Yao, Zizhu;Zhang, Jindan;Zhang, Zhangjing;Xiang, Shengchang. And the article was included in ACS Applied Materials & Interfaces in 2018.Product Details of 157069-48-2 This article mentions the following:

Although supramol. isomerism in metal-organic frameworks (MOFs) would offer a favorable platform for in-depth exploring their structure-property relationship, the design and synthesis of the isomers are still rather a challenging aspect of crystal engineering. Here, a pair of supramol. isomers of Co(II)-based MOFs (FJU-88 and FJU-89) can be directionally fabricated by rational tuning the additives. In spite of the fact that the isomers have the similar Co₃ secondary building units and organic linkers, they adopt distinct networks with acs and snw topologies, resp., which derive from the conformational flexibility of the organic ligands. It is noteworthy that the porous structure of FJU-88 would be collapsed after removal of the solvent from the pores. But FJU-89a shows permanent porosity accompanied with unusual hierarchical micro- and mesopores and superior gas selective adsorption performance. In addition, FJU-89a can efficiently trap C₂H₂ from C₂H₂/CO₂ and C₂H₂/CH₄ mixture gases through fixed-bed dynamic breakthrough experiments In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Product Details of 157069-48-2).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) belongs to triazole derivatives. However, triazoles are also useful in bioorthogonal chemistry, because the large number of nitrogen atoms causes triazoles to react similar to azides. Due to the structural characteristics, both 1,2,3- and 1,2,4-triazoles are able to accommodate a broad range of substituents (electrophiles and nucleophiles) around the core structures and pave the way for the construction of diverse novel bioactive molecules.Product Details of 157069-48-2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Biodegradation and detoxification of neonicotinoid insecticide thiamethoxam by white-rot fungus Phanerochaete chrysosporium was written by Chen, Anwei;Li, Wenjie;Zhang, Xiaoxiao;Shang, Cui;Luo, Si;Cao, Ruoyu;Jin, Doudou. And the article was included in Journal of Hazardous Materials in 2021.Application In Synthesis of 1H-Benzo[d][1,2,3]triazol-1-amine This article mentions the following:

The extensive use of neonicotinoid pesticides in the past two decades caused serious impacts on many kinds of living beings. Therefore, it has been strongly suggested to detoxify and eliminate neonicotinoids′ residual levels in environment. Here, the degradation and detoxification of thiamethoxam (THX) by white-rot fungus Phanerochaete chrysosporium was conducted. Results shown that P. chrysosporium can tolerate THX and degraded 49% of THX after incubation for 15 days, and then 98% for 25 days at the initial concentration of 10 mg/L, which indicates the excellent degradation ability of this fungus to THX. Based on the byproducts identified, THX underwent dechlorination, nitrate reduction, and C-N cleavage between the 2-chlorothiazole ring and oxadiazine. (Z)-N-(3-methyl-1,3,5-oxadiazinan-4-ylidene)nitramide and 3-methyl-1,3,5-oxadiazinan-4-imine were identified as the main metabolites. The impacts of THX and its corresponding degradation intermediates on the growth of E. coil and Microcystis aeruginosa as well as the germination of rape and cabbage demonstrated that P. chrysosporium effectively degrades THX into metabolites and reduces its biotoxicity. The present work demonstrates that P. chrysosporium can be effectively used for degradation and detoxification of THX. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Application In Synthesis of 1H-Benzo[d][1,2,3]triazol-1-amine).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. 1,2,3-Triazoles are usually prepared following (3+2) cycloaddition protocols. A common technique for unsubstituted triazoles is the Huisgen azide-alkyne 1,3-dipolar cycloaddition: a azide and an alkyne react at high temperature to form a ring. However, the Huisgen strategy produces a mixture of isomers (typically 1,4- and 1,5-disubstituted) when used to produce substituted triazoles.Application In Synthesis of 1H-Benzo[d][1,2,3]triazol-1-amine

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Synthesis, structure, and fungicidal activity of triorganotin (4H-1,2,4-triazol-4-yl)benzoates was written by Li, Fang-Lin;Dai, Bin;Song, Hai-Bin;Mi, Na;Tang, Liang-Fu. And the article was included in Heteroatom Chemistry in 2010.Application of 157069-48-2 This article mentions the following:

A series of triorganotin (4H-1,2,4-triazol-4-yl)benzoates have been synthesized by the reaction of 4-(4H-1,2,4-triazol-4-yl)benzoic acid and 3-(4H-1,2,4-triazol-4-yl)benzoic acid with (R₃Sn)₂O (R = Et, n-Bu and Ph) or R’₃SnOH (R’ = p-tolyl and cyclohexyl). The mol. structure of tri(p-tolyl)tin 3-(4H-1,2,4-triazol-4-yl)benzoate determined by x-ray crystallog. displays that the tin atom adopts a five-coordinate distorted trigonal bipyramidal geometry with the carboxyl oxygen atom and the nitrogen atom on 1-position of triazole ring occupying the apical position. Moreover, this complex forms a polymeric chain by the intermol. Sn-N interactions. All these complexes show good antifungal activities in vitro against Alternaria solani, Cercospora arachidicola, Gibberella zeae, Physalospora piricola, and Botrytis cinerea. © 2010 Wiley Periodicals, Inc. Heteroatom Chem 20:411-417, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20566. In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Application of 157069-48-2).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) belongs to triazole derivatives. Triazoles consist of a five-membered ring containing three nitrogen atoms and are biologically active, especially as antifungal, antimicrobial and enzyme inhibitors. Both the triazoles and their derivatives have significant biological properties including antimicrobial, antiviral, antitubercular, anticancer, anticonvulsant, analgesic, antioxidant, anti-inflammatory, and antidepressant activities.Application of 157069-48-2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

A hexanuclear Co^II complex assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: synthesis, crystal structure and magnetic property was written by Zou, Ji-yong;Shi, Wei;Gao, Hong-ling;Cui, Jian-zhong;Cheng, Peng. And the article was included in Wuji Huaxue Xuebao in 2014.SDS of cas: 4546-95-6 This article mentions the following:

A new hexanuclear Co^II complex, namely [Co₆(TDA)₄(H₂O)₁₄]·5H₂O (1) (H₃TDA = 1H-1,2,3-triazole-4,5-dicarboxylic acid), has been successfully synthesized and characterized by IR spectra, elemental anal., thermogravimetric anal., powder and single-crystal X-ray diffraction. Complex 1 crystallizes in orthorhombic space group P2₁2₁2, with cell parameters: a = 1.64730(2) nm, 6 = 1.65330(2) nm, c = 0.7326 90(10) nm and Flack parameter of 0.00(13). In title complex, six Co^II ions are connected by four TDA^3- ligands to form a hexanuclear Co^II unit, which can be extended to a 3D supramol. architecture through the hydrogen-bonding interactions. Magnetic study reveals the dominant antiferromagnetic interaction exist between Co^II ions in 1. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6SDS of cas: 4546-95-6).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) belongs to triazole derivatives. Many triazoles are versatile, biologically active compounds commonly used as fungicides and plant retardants. Due to the structural characteristics, both 1,2,3- and 1,2,4-triazoles are able to accommodate a broad range of substituents (electrophiles and nucleophiles) around the core structures and pave the way for the construction of diverse novel bioactive molecules.SDS of cas: 4546-95-6

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Hydrogen cyanide. X. The tetrapolymer was written by Hinkel, L. E.;Richards, G. O.;Thomas, O.. And the article was included in Journal of the Chemical Society in 1937.Product Details of 4546-95-6 This article mentions the following:

The previous evidence for the structure of the polymerized form of HCN is reviewed and further evidence is adduced for its quadrimol. nature. The view that the polymer is diaminomaleic dinitrile is shown to be incorrect and experiments indicate it to be aminoiminosucconitrile (I). The polymerization product of HCN, m. 181° (decomposition), condenses with glyoxal in hot H₂O to give 6-hydroxy-2,3-dicyanodihydropyrazine, red, amorphous, decomposes 240° without melting; it is very slowly decomposed by boiling H₂O, but H₂O containing a little (CO₂H)₂ gives dicyanopyrazine (II), m. 132°. Hydrolysis of II by Na₂O₂ in H₂O and purification through the Ag salt give pyrazinedicarboxylic acid, m. 193°. The polymer of HCN in Et₂O, saturated with dry HCl, gives the HCl salt of I, decomposes 135°. Refluxing the polymer with aldehydes in EtOH for 30 min. gives the following derivatives of I: benzylidene (III), yellow, m. 191° (decomposition); salicylidene, yellow with green tinge, m. 234° (decomposition); m-bromosalicylidene, yellow, m. above 250°; anisylidene, yellow, m. 227° (decomposition); isobutylidene, m. 91° (decomposition); in no case could a 2nd mol. of aldehyde be condensed. The Ac derivative of I m. 164° (decomposition); the di-Ac derivative m. 224° (decomposition); the Ac derivative of III m. 227° (decomposition). Ac₂ and I give 2,3-dicyano-5,6-dimethylpyrazine (IV), m. 171°; benzil forms 2,3-dicyano-5,6-diphenylpyrazine, m. 246°. Hydrolysis of IV gives 2,3-dimethylpyrazine-5,6-dicarboxylic acid, m. 200°. The action of HNO₂ on I yields 4,5-dicyano-1,2,3-triazole (V), hydrolysis of which gives 1,2,3-triazole-4,5-dicarboxylic acid. The action of HNO₂ on the Ac derivative of I forms 4 (or 5)-cyano-1,2,3-triazole-5 (or 4)-carboxamide, m. 219° (decomposition), and V. Oxidation of III gives 4,5-dicyano-2-phenyliminazole, cream, m. 261° (decomposition); hydrolysis gives 2-phenyliminazole-4,5-dicarboxylic acid, m. 243-4°. In the experiment, the researchers used many compounds, for example, 1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6Product Details of 4546-95-6).

1H-1,2,3-Triazole-4,5-dicarboxylic acid (cas: 4546-95-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. Many triazoles have antifungal effects: the triazole antifungal drugs include fluconazole, isavuconazole, itraconazole, voriconazole, pramiconazole, ravuconazole, and posaconazole and triazole plant-protection fungicides include epoxiconazole, triadimenol, myclobutanil, propiconazole, prothioconazole, metconazole, cyproconazole, tebuconazole, flusilazole and paclobutrazol.Product Details of 4546-95-6

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Syntheses, crystal structures and luminescent properties of two new zinc(II) complexes based on bifunctional ligand was written by Ye, Ying-Xiang;Zheng, Jian-Hong;Zeng, Yan-Ting;Lin, Yan-Li;Zhang, Liu-Qin;Wang, Li-Hua;Zhang, Zhang-Jing;Xiang, Sheng-Chang. And the article was included in Chinese Journal of Structural Chemistry in 2016.Related Products of 157069-48-2 This article mentions the following:

By using solvothermal method, two novel coordination polymers based on 4-(4-carboxyphen-yl)-1,2,4-triazole (Hcpt) and Zn(II) cations, [Zn(cpt)(OH)]_n·nH₂O (FJU-32) and [Zn(cpt)(atrz)]_n (FJU-33) (Hatrz = 3-amino-1,2,4-triazolate), were synthesized and characterized by single-crystal X-ray diffraction analyses, elemental analyses, FT-IR and powder X-ray diffraction. FJU-32 crystallizes in monoclinic, space group P21/c with a = 3.7441(3), b = 23.0384(19), c = 11.8562(10) Å, β = 99.069(8)°, V = 1009.91(15) ų, Dc = 1.898 g/cm³, C₉H₉N₃O₄Zn, Mr = 288.57, F(000) = 916, μ(MoKα) = 2.439 mm^-1, Z = 4, R = 0.0600 and wR = 0.1306 for 2412 observed reflections (I > 2σ (I)), and R = 0.0704 and wR = 0.1349 for all data. FJU-33 crystallizes in monoclinic space group P2 1/c with a = 12.7483(5), b = 9.9922(3), c = 9.8403(3) Å, β = 100.756(4)°, V = 1231.47(7) ų, Dc = 1.816 g/cm³, C₁₁H₉N₇O₂Zn, Mr = 336.62, F(000) = 680, μ(CuKα) = 2.957 mm^-1, Z = 4, R = 0.0478 and wR = 0.1184 for 2466 observed reflections (I > 2σ (I)), and R = 0.0687 and wR = 0.1309 for all data. In FJU-32, Zn(II) is coordinated to three μ₃-OH groups forming an unprecedented 1D zigzag-like double chain, and the 1D double chains are connected to four neighboring double chains by the cpt ligands to form an extended 3D porous coordination polymer. In FJU-33, the adjacent [Zn(atrz)] 2D layers are further connected by the cpt ligands via Zn-O coordinated bonds and neighboring interlayer hydrogen-bonding interactions to give rise to an overall 3D pillared layer structure. The neutral triazole group of the cpt ligand has weaker coordination ability than the triazolate anion of atrz ligand. Furthermore, FJU-32 and FJU-33 display high thermal stability up to 300°, and the solid state fluorescence reveals that two new complexes are potential optical materials. In the experiment, the researchers used many compounds, for example, 4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2Related Products of 157069-48-2).

4-(4H-1,2,4-Triazol-4-yl)benzoic acid (cas: 157069-48-2) belongs to triazole derivatives. Triazoles consist of a five-membered ring containing three nitrogen atoms and are biologically active, especially as antifungal, antimicrobial and enzyme inhibitors. Triazole growth retardants such as uniconazole and paclobutrazol have been known to inhibit the biosynthesis of gibberellins by blocking kaurene oxidase, an P450 enzymeRelated Products of 157069-48-2

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

1,2,3-Benzotriazole derivatives adsorption on Cu(1 1 1) surface: A DFT study was written by Saavedra-Torres, Mario;Escobar, Carlos A.;Ocayo, Fernanda;Tielens, Frederik;Santos, Juan C.. And the article was included in Chemical Physics Letters in 2017.Application of 1614-12-6 This article mentions the following:

In the context of copper corrosion passivation, the adsorption of benzotriazole (BTAH) and its derivatives: 5-Me, 5-Amine, 1-Amine, 1-Me on a Cu(1 1 1) surface was investigated using periodic d. functional (DFT) calculations The results were contrasted with exptl. ASTM protocols. Adsorption of BTAH and radical (BTA^·) forms, as well as solvent effect were evaluated. The Cu-N interaction provides stable complexes with adsorption over top sites. Radical forms yielded more stable complex. Their adsorption energies correlate with the substituent position and electronic features. A strong interaction was obtained when the charge transfer occurred from surface to adsorbate. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Application of 1614-12-6).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. Triazoles are important five-member nitrogen heterocycles involved in a wide range of industrial applications such as agrochemicals, corrosion inhibitors, dyes, optical brighteners, as well as biologically active agents. 1,2,3-Triazoles are usually prepared following (3+2) cycloaddition protocols. A common technique for unsubstituted triazoles is the Huisgen azide-alkyne 1,3-dipolar cycloaddition: a azide and an alkyne react at high temperature to form a ring. However, the Huisgen strategy produces a mixture of isomers (typically 1,4- and 1,5-disubstituted) when used to produce substituted triazoles.Application of 1614-12-6

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics

Application of a micropatterned cocultured hepatocyte system to predict preclinical and human-specific drug metabolism was written by Ballard, T. Eric;Wang, Shuai;Cox, Loretta M.;Moen, Mark A.;Krzyzewski, Stacy;Ukairo, Okechukwu;Obach, R. Scott. And the article was included in Drug Metabolism & Disposition in 2016.Synthetic Route of C6H6N4 This article mentions the following:

Laboratory animal models are the industry standard for preclin. risk assessment of drug candidates. Thus, it is important that these species possess profiles of drug metabolites that are similar to those anticipated in human, since metabolites also could be responsible for biol. activities or unanticipated toxicity. Under most circumstances, preclin. species reflect human in vivo metabolites well; however, there have been several notable exceptions, and understanding and predicting these exceptions with an in vitro system would be very useful. Human micropatterned cocultured (MPCC) hepatocytes have been shown to recapitulate human in vivo qual. metabolic profiles, but the same demonstration has not been performed yet for laboratory animal species. In this study, we investigated several compounds that are known to produce human-unique metabolites through CYP2C9, UGT1A4, aldehyde oxidase (AO), or N-acetyltransferase that were poorly covered or not detected at all in the selected preclin. species. To perform our investigation we used 24-well MPCC hepatocyte plates having three individual human donors and a single donor each of monkey, dog, and rat to study drug metabolism at four time points per species. Through the use of the multispecies MPCC hepatocyte system, the metabolite profiles of the selected compounds in human donors effectively captured the qual. in vivo metabolite profile with respect to the human metabolite of interest. Human-unique metabolites that were not detected in vivo in certain preclin. species (normally dog and rat) were also not generated in the corresponding species in vitro, confirming that the MPCC hepatocytes can provide an assessment of preclin. species metabolism From these results, we conclude that multispecies MPCC hepatocyte plates could be used as an effective in vitro tool for preclin. understanding of species metabolism relative to humans and aid in the choice of appropriate preclin. models. In the experiment, the researchers used many compounds, for example, 1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6Synthetic Route of C6H6N4).

1H-Benzo[d][1,2,3]triazol-1-amine (cas: 1614-12-6) belongs to triazole derivatives. The triazole ring is a relatively stable functional group, and the triazole bond can be used for a variety of applications, such as replacing the phosphate backbone of DNA. The presence of the three nitrogen atoms in triazole structures afforded opportunities for a plethora of structural modification with the generation of novel therapeutically potential agents, which is different from other heterocyclic compounds.Synthetic Route of C6H6N4

Referemce:
1,2,3-Triazole – Wikipedia,
Triazoles – an overview | ScienceDirect Topics