Category: 86404-63-9

Computed Properties of C10H7F2N3O. 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. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Method development and validation study for quantitative determination of genotoxic impurity and its precursor in fluconazole sample by liquid chromatography-tandem mass spectrometry.

Objective: The objective of this work is method development and validation study for quant. determination of 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole, a genotoxic impurity and its precursor in a fluconazole drug sample by liquid chromatog.-tandem mass spectrometry. Methods: LC-MS/MS anal. of these impurities was performed on Hypersil BDS C18 (100 mm x 4.0 mm, 3 μm) column. 5 mmol ammonium acetate and acetonitrile in the ratio of 65:35 (volume/volume) was used as the mobile phase with a flow rate of 0.4 mL/min. The developed method was accomplished with a short run time of 10 min. Triple quadrupole mass detector coupled with pos. electrospray ionization was used for the quantification of genotoxic impurities in multiple reaction monitoring (MRM). Results: The method was validated as per International Conference on Harmonization (ICH) guidelines. The method was linear in the range of 0.30 μg/g to 11.37 μg/g for impurity A and 0.30 μg/g to 11.34 μg/g for impurity B with a correlation coefficient of 0.999. The accuracy of the method was in the range of 98.25 % to 100.53 % for both impurities. Conclusion: A specific, selective, highly sensitive and more accurate anal. method using LC-MS/MS coupled with pos. electrospray ionization has been developed for the quantification of genotoxic impurity (1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1H-1,2,4-triazole) and its precursor (1-(2,4-difluorophenyl)-2-[1,2,4]triazol-1-yl-ethanone) at 0.3 μg/g with respect to the 5.0 mg/mL of fluconazole.

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

Reference of 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 Design and synthesis of fluconazole/bile acid conjugate using click reaction. Author is Pore, Vandana S.; Aher, Nilkanth G.; Kumar, Manish; Shukla, Praveen K..

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

Synthetic Route 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 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.Synthetic Route of C6H6N2O. The article 《Novel alkylated azoles as potent antifungals》 in relation to this compound, is published in European Journal of Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:86404-63-9).

The synthesis of new FLC derivatives I (R = 2,4-Cl2, 2-F, 3-F, 4-F, etc.; n = 0, 1, 2, 3, 4, 5) along with their antifungal activity against a panel of 13 clin. relevant fungal strains was developed. Also, their toxicity against mammalian cells, their hemolytic activity, as well as their mechanism of action were explored. Overall, many of our FLC derivatives I exhibited broad-spectrum antifungal activity and all compounds displayed an MIC value of <0.03 μg/mL against at least one of the fungal strains tested. Also, they were found to be less hemolytic and less cytotoxic to mammalian cells than the FDA approved antifungal agent amphotericin B. The mechanism of action of compounds has been demonstrated as best derivative for the inhibition of the sterol 14α-demethylase enzyme, involved in ergosterol biosynthesis. In some applications, this compound(86404-63-9)Application In Synthesis of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

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

Electric Literature of C10H7F2N3O. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, is researched, Molecular C10H7F2N3O, CAS is 86404-63-9, about Design and synthesis of fluconazole/bile acid conjugate using click reaction. Author is Pore, Vandana S.; Aher, Nilkanth G.; Kumar, Manish; Shukla, Praveen K..

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

Safety of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. 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 (Z)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one. Author is Yin, Ben-Tao; Lv, Jing-Song; Wang, Yan; Zhou, Cheng-He.

In the title mol., C17H10F3N3O, the C=C bond connecting the triazole ring and 4-fluorophenyl groups adopts a Z conformation. The triazole ring forms dihedral angles of 15.3(1) and 63.5(1)°, with the 2,4-difluoro-substituted and 4-fluoro-substituted benzene rings, resp. The dihedral angle between the two benzene rings is 51.8(1)°. Crystallog. data and at. coordinates are given.

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

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Optimization and study on the synthesis of fluconazole, published in 2011-08-31, which mentions a compound: 86404-63-9, Name is 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, Molecular C10H7F2N3O, Recommanded Product: 86404-63-9.

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

Synthetic Route of C10H7F2N3O. 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 Synthesis and antifungal activities of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted group-2-propanols. Author is Liu, Chaomei; Xu, Fan; Liang, Shuang; Sun, Qingyan; Jiang, Yuanying.

The title compounds 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-alkyloxyphenylpiperazin-1-yl)-2-propanols, e.g. I, and 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted sulfur ether-2-propanols, e.g. II, were synthesized through the reaction of an intermediate epoxide and 4-alkyloxyphenylpiperazines or substituted sulfur alcs. The structures were confirmed by the elementary anal., 1H-MR and IR spectra. MIC80 of all the title compounds were determined by the method recommended by the National Committee for Clin. Laboratory Standards (NCCLS) using the RPMI1640 test medium. The results of the preliminary antifungal test show that all the title compounds exhibited potent antifungal activities to a certain extent. The antifungal activity of 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-alkyloxyphenylpiperazin-1-yl)-2-propanols was more potent than that of 1-(1H,1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-substituted sulfur ether-2-propanols in vitro. The antifungal activities of the four compounds in 1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-(4-alkyloxyphenylpiperazin-1-yl)-2-propanols are more potent than that of fluconazole or equal to that of ketoconazole in vitro.

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

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Structure-based rational design, synthesis and antifungal activity of oxime-containing azole derivatives, published in 2010-05-01, which mentions a compound: 86404-63-9, mainly applied to triazolylpropanol piperidinone oxime ether containing derivative preparation antifungal activity; mol docking CACYP51 triazolylpropanol piperidinone oxime ether containing derivative, COA of Formula: C10H7F2N3O.

In an attempt to find novel azole antifungal agents with improved activity and broader spectrum, computer modeling was used to design a series of new azoles with piperidin-4-one O-substituted oxime side chains. Mol. docking studies revealed that they formed hydrophobic and hydrogen-bonding interactions with lanosterol 14α-demethylase of Candida albicans (CACYP51). In vitro antifungal assay indicates that most of the synthesized compounds showed good activity against tested fungal pathogens. In comparison with fluconazole, itraconazole and voriconazole, several compounds (such as I, R = H, 3-Cl, 2-F) show more potent antifungal activity and broader spectrum, suggesting that they are promising leads for the development of novel antifungal agents.

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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.Recommanded Product: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.Wan, Kun; Fang, Bo; Wang, Guang Zhou; Zhou, Cheng He published the article 《2-Bromo-2-(5-bromo-1H-1,2,4-triazol-1-yl)-1-(2,4-difluorophenyl)ethanone》 about this compound( cas:86404-63-9 ) in Acta Crystallographica, Section E: Structure Reports Online. Keywords: bromo bromotriazolyl difluorophenylethanone crystal structure; mol structure bromobromotriazolyl difluorophenylethanone; weak hydrogen bond bromobromotriazolyldifluorophenylethanone. Let’s learn more about this compound (cas:86404-63-9).

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