Category: 86404-63-9

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 7-Fluoro-2-(prop-2-en-1-ylsulfanyl)-3-(1H-1,2,4-triazol-1-yl)-4H-thiochromen-4-one, Author is Liu, Dong Liang; Xiao, Tao; Li, Yang; Yu, Guang Yan; Li, Chen, the main research direction is fluoropropenylsulfanyltriazolylthiochromenone crystal mol structure.Quality Control of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

The asym. unit of the title compound, C14H10FN3OS2, contains two independent mols. which differ in the relative orientations of the triazole and allylsulfanyl groups with respect to the planar thiochromen-4-one frameworks. The N-N-C-C torsion angles are 128.2(5) and -120.9(5)°, while the C-S-C-S torsion angles are -17.4(4) and 16.4(4)°. In the crystal, intermol. C-H···O and C-H···N hydrogen bonds link the mols. in a stacked arrangement along the a axis.

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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.Recommanded Product: 74111-21-0. The article 《Design and synthesis of fluconazole/bile acid conjugate using click reaction》 in relation to this compound, is published in Tetrahedron. Let’s take a look at the latest research on this compound (cas:86404-63-9).

Novel fluconazole/bile acid conjugates I (R1 = H, OH) and II (R2 = H, OH) were designed and their regioselective synthesis was achieved in very high yield via Cu(I) catalyzed intermol. 1,3-dipolar cycloaddition These new mols. showed good antifungal activity against Candida species.

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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

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

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

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

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

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

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

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