Day: March 31, 2022

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ) is researched.Formula: C10H7F2N3O.Wen, Qin-Mei; Yin, Ben-Tao; Yan, Cong-Yan; Zhou, Cheng-He published the article 《(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one》 about this compound( cas:86404-63-9 ) in Acta Crystallographica, Section E: Structure Reports Online. Keywords: crystal structure hydrogen bond conformation fluoropyrrolidinylphenylphenyltriazolylpropenone; mol structure fluoropyrrolidinylphenylphenyltriazolylpropenone. Let’s learn more about this compound (cas:86404-63-9).

In the title mol., C21H19FN4O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the Ph and fluoro-substituted benzene rings, resp. The dihedral angle between the Ph ring and the fluoro-substituted benzene ring is 79.1 (1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C-H···O and C-H···N hydrogen bonds connect mols. into layers parallel to (001). Crystallog. data are given.

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

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Sheng, Chunquan; Chen, Yi; Zhang, Wannian; Song, Yunlong; Ji, Haitao; Zhou, Youjun; Zhu, Ju; Lu, Jiaguo researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Reference of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.They published the article 《Optimization of the synthesis of the key intermediate of fluconazole by the orthogonal experimental design》 about this compound( cas:86404-63-9 ) in Zhongguo Yaowu Huaxue Zazhi. Keywords: fluconazole intermediate preparation optimization. We’ll tell you more about this compound (cas:86404-63-9).

Optimization of the preparation of 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole methanesulfonate, an intermediate in fluconazole synthesis, by reacting 2′,4′-difluoro-2-(1H-1,2,4-triazol-1-yl)acetophenone with trimethylsulfoxonium iodide was carried out using orthogonal exptl. design. The yield reached 62.34%.

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

Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 86404-63-9, is researched, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3OJournal, Article, Acta Crystallographica, Section E: Structure Reports Online called 2-Bromo-2-(5-bromo-1H-1,2,4-triazol-1-yl)-1-(2,4-difluorophenyl)ethanone, Author is Wan, Kun; Fang, Bo; Wang, Guang Zhou; Zhou, Cheng He, the main research direction is bromo bromotriazolyl difluorophenylethanone crystal structure; mol structure bromobromotriazolyl difluorophenylethanone; weak hydrogen bond bromobromotriazolyldifluorophenylethanone.Category: triazoles.

In the title compound, C10H5Br2F2N3O, the mean planes of the benzene and triazole rings form a dihedral angle of 84.86 (2)°. In the crystal structure, weak intermol. C-H…O hydrogen bonds link mols. into extended chains propagating along the c axis. Crystallog. data are given.

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

Recommanded Product: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Discovery of highly potent antifungal triazoles by structure-based lead fusion. Author is Wang, Wenya; Wang, Shengzheng; Dong, Guoqiang; Liu, Yang; Guo, Zizhao; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan.

By means of structure-based lead fusion, a series of novel drug-like azoles possessing 4-(benzyloxy)piperidin-1-yl side chains were rationally designed and synthesized. Flexible mol. docking studies indicated that the newly synthesized azoles took advantages of the key interactions between the two lead structures and CACYP51. As a result, they revealed improved antifungal activity and broader spectrum. All the new azoles showed good to excellent in vitro antifungal activity against all of the tested pathogenic fungi (MIC80 range: 2.33-0.01 μM). Compounds 10a, 10g and 10h, the most active azoles toward Candida albicans (MIC80 = 0.01 μM) are 82 fold more potent than fluconazole. In particular, all the compounds also showed good activity against Aspergillus fumigatus (MIC80 = 2.33-0.55 μM) that is not sensitive to fluconazole.

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

HPLC of Formula: 86404-63-9. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Optimization and study on the synthesis of fluconazole. Author is Wu, Chunli; Li, Xing; Shi, Xiufang; Shi, Yuntao; Wang, Minglin.

An improved process for the preparation of fluconazole is described. 1,3-Difluorobenzene underwent Friedel-Crafts acetylation with chloroacetyl chloride without solvent to give 2,4-difluorophenylacetyl chloride in 98% yield. This chloride was substituted with 1H-1,2,4-triazole in refluxing toluene in the presence of sodium bicarbonate, leading to 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone in 71% yield. Finally, one-pot Corey-Chaykovsky reaction of the carbonyl with Me3SOI followed by ring-opening with 1H-1,2,4-triazole to afford fluconazole in 76% yield.

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

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone(SMILESS: FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1,cas:86404-63-9) is researched.Product Details of 111-18-2. The article 《(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phenyl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one》 in relation to this compound, is published in Acta Crystallographica, Section E: Structure Reports Online. Let’s take a look at the latest research on this compound (cas:86404-63-9).

In the title mol., C21H19FN4O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the Ph and fluoro-substituted benzene rings, resp. The dihedral angle between the Ph ring and the fluoro-substituted benzene ring is 79.1 (1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C-H···O and C-H···N hydrogen bonds connect mols. into layers parallel to (001). Crystallog. data are given.

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

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: 6-Methylnicotinic acid( cas:3222-47-7 ) is researched.Product Details of 3222-47-7.Kopriva, Ivica; Jeric, Ivanka; Hadzija, Marijana Popovic; Hadzija, Mirko; Lovrencic, Marijana Vucic published the article 《Non-negative Least Squares Approach to Quantification of 1H Nuclear Magnetic Resonance Spectra of Human Urine》 about this compound( cas:3222-47-7 ) in Analytical Chemistry (Washington, DC, United States). Keywords: non neg least squares method NMR spectra; urine analysis diabetes type two. Let’s learn more about this compound (cas:3222-47-7).

Because of its quant. character and capability for high-throughput screening, 1H NMR (NMR) spectroscopy is used extensively in the profiling of biofluids such as urine and blood plasma. However, the narrow frequency bandwidth of 1H NMR spectroscopy leads to a severe overlap of the spectra of components present in the complex mixtures such as biofluids. Therefore, 1H NMR-based metabolomics anal. is focused on targeted studies related to concentrations of the small number of metabolites. Here, we propose a library-based approach to quantify proportions of overlapping metabolites from 1H NMR mixture spectra. The method boils down to the linear non-neg. least squares (NNLS) problem, whereas proportions of the pure components contained in the library stand for the unknowns. The method is validated on an estimation of the proportions of (i) the 78 pure spectra, presumably related to type 2 diabetes mellitus (T2DM), from their synthetic linear mixture; (ii) metabolites present in 62 1H NMR spectra of urine of subjects with T2DM and 62 1H NMR spectra of urine of control subjects. In both cases, the inhouse library of 210 pure component 1H NMR spectra represented the design matrix in the related NNLS problem. The proposed method pinpoints 63 metabolites that in a statistically significant way discriminate the T2DM group from the control group and 46 metabolites discriminating control from the T2DM group. For several T2DM-discriminative metabolites, we prove their presence by independent anal. determination or by pointing out the corresponding findings in the published literature.

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

Category: triazoles. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 6-Methylnicotinic acid, is researched, Molecular C7H7NO2, CAS is 3222-47-7, about Searching for new agents active against Candida albicans biofilm: A series of indole derivatives, design, synthesis and biological evaluation. Author is Pandolfi, Fabiana; D’Acierno, Federica; Bortolami, Martina; De Vita, Daniela; Gallo, Fabio; De Meo, Alessandra; Di Santo, Roberto; Costi, Roberta; Simonetti, Giovanna; Scipione, Luigi.

Candida albicans biofilm represents a major clin. problem due to its intrinsic tolerance to anti-fungal compounds and it has been highly related to infections in catheterized patients. Few compounds are described as able to inhibit biofilm formation or to interfere with preformed biofilm of C. albicans. Here the authors report the in vitro evaluation of anti-biofilm activity on C. albicans ATCC 10231 of a series of new and already known amine and amide indole derivatives Among the studied compounds, fifteen resulted active on C. albicans ATCC 10231 biofilm, with BMIC50 ≤16 μg/mL. Three of them (7, 23 and 33) showed a selectivity towards mature biofilm and the most active of them was the compound 23 (BMIC50 = 4 μg/mL). On the other hands, two different compounds (21 and 22) were selective towards biofilm formation with BMIC50 values of 8 μg/mL. Otherwise, compounds 16 and 17 resulted active on biofilm formation, with BMIC50 of 8 μg/mL and 2 μg/mL resp., and on mature biofilm with BMIC50 of 2 μg/mL. These two last compounds also showed an interesting activity towards the planktonic cells of C. albicans. A selection of the more active compounds was also evaluated on different C. albicans strains (PMC1042, PMC1083 and ATCC 10261), showing a comparable or higher anti-biofilm activity, especially on mature biofilm. In vivo toxicity studies using the Galleria mellonella larvae, were finally carried out on more active indole derivatives, showing that they are poorly toxic even at the highest concentrations tested (500-1000 μg/mL).

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

Electric Literature of C10H7F2N3O. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Synthesis and antifungal evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase. Author is Yu, Shichong; Chai, Xiaoyun; Hu, Honggang; Yan, Yongzheng; Guan, Zhongjun; Zou, Yan; Sun, Qingyan; Wu, Qiuye.

A series of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols, which are analogs of fluconazole, have been designed and synthesized as the potential antifungal agents by the click reaction. Click reaction approach toward the synthesis of two sets of novel 1,2,3-triazolyl linked triazole antifungal derivatives was achieved by Cu(I)-catalyzed 1,3-dipolar cycloaddition of propargylated intermediates with substituted benzyl or alkyl azides. The 1,2,3-triazolyl group was inserted into the side chain of the target mol. which can increase the antifungal activity of compounds

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

Ramesh, B.; Narayana, P. Sreeman; Reddy, A. Shiva; Devi, P. Sita published an article about the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9,SMILESS:FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1 ).SDS of cas: 86404-63-9. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:86404-63-9) through the article.

A quant. densitometric HPTLC method was developed and validated for the determination of fluconazole and its structurally related impurities. The separations were accomplished on silica gel 60 F254 plates using a saturated mixture of butanol: water: acetic acid (8:2:1 volume/volume). UV light facilitated the visualization of the active drug substance fluconazole and impurity-e while impurity-b was visible only when exposed to iodine vapors, as dark brown chromatog. zone. Densitometric quantification was performed at λ = 254nm by reflecting scanning and fluconazole (Rr 0.67 ± 0.02) resolved well from the 2 impurities. The standard fluconazole curve is linear (r = > 0.9995) over a concentration range of 1-6 μg/spot. Recovery from tablet formulation was statistically equal to 100%. The limits of detection and quantification were 0.031 and 0.098 μg/spot resp. The precision of the method with respect to concentration is acceptable with a relative standard deviation of 2%. The proposed method is specific for fluconazole in the presence of its structurally related impurities and proved to be a valuable complimentary method for impurity profiling and quality control.

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