Category: 86404-63-9

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 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol, published in 2012-02-29, which mentions a compound: 86404-63-9, mainly applied to crystal structure difluorophenyltriazolylethanol; mol structure fluorophenyltriazolylethanol; hydrogen bond difluorophenyltriazolylethanol; triazolylethanol difluorophenyl crystal mol structure, COA of Formula: C10H7F2N3O.

In 1-(2,4-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol, C10H9F2N3O, the dihedral angle between the rings is 22.90(4)°. In the crystal, C-H···F and O-H···N H bonds link the mols. into chains along [010]. Crystallog. data are given.

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

SDS of cas: 86404-63-9. 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 Synthesis and crystallographic characterization of 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole. A crucial intermediate for the synthesis of azole antifungal drugs. Author is Patel, Pallav D.; Talele, Tanaji T.; Fronczek, Frank R..

Preparation of 1-((2-(2,4-difluorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole(I) was accomplished in two steps. 1H-1,2,4-triazole was reacted with 2,4-difluoro-α-chloroacetophenone in presence of K2CO3 in refluxing toluene to provide the compound 2,4-difluoro-α-(1H-1,2,4-triazol-2-yl)acetophenone (II). The compound II was treated with trimethylsulfoxonium iodide in aqueous NaOH and toluene to provide the title oxirane. The compound I, previously isolated as an oil, was crystallized from (DCM/MeOH) and characterized by X-ray crystallog.: triclinic, space group P – 1, a = 7.3225 (15), b = 7.5833 (15), c = 9.856 (2) Å, α = 91.908 (12), β = 100.824 (11), γ = 103.800 (11)°, V = 520.28 (18) Å3, Z = 2. This important intermediate I, normally an oil, was crystallized, and its crystal structure includes a stepped conformation with nearly parallel triazole and Ph rings. Lack of classical hydrogen-bond donors leads to packing dominated by weaker interactions, including C-H…N, C-H…F and F…F contacts.

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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Scientia Pharmaceutica called A validated stability-indicating liquid chromatographic method for determination of degradation impurities and diastereomers in voriconazole tablets, Author is Shaikh, Kabeer A.; Patil, Ashish T., which mentions a compound: 86404-63-9, SMILESS is FC1=CC=C(C(CN2N=CN=C2)=O)C(F)=C1, Molecular C10H7F2N3O, Electric Literature of C10H7F2N3O.

A reversed-phase gradient liquid chromatog. method was developed for the quant. determination of Voriconazole, along with its degradation and diastereomeric impurities in tablet dosage form. Chromatog. separation was achieved on an Inertsil ODS 3V, 150 × 4.6 mm, 5 μm column. The mobile phase consisting of solvent A 0.05 M (M) potassium dihydrogen phosphate (pH 2.5 buffer) and solvent B (mixture of acetonitrile and MeOH in the ratio 90:10 (volume/volume)), was delivered at a flow rate of 1.2 mL min-1 with the detection wavelength at 256 nm. Resolution of Voriconazole and all 5 potential impurities was achieved at > 2.0 for all pairs of compounds The drug was subjected to stress conditions such as oxidative, acid and base hydrolysis, and thermal and photolytic degradation Voriconazole was found to degrade significantly under base hydrolysis stress conditions compared to acid hydrolysis stress conditions. The degradation products were well-resolved from the main peak and its impurities, thus proving the stability-indicating power of the method. The stressed samples were assayed against a reference standard and the mass balance was found to be close to 99.0%. The developed method was validated as per ICH guidelines with respect to specificity, linearity, limit of detection, limit of quantification, accuracy, precision, and robustness.

If you want to learn more about this compound(1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone)Electric Literature of C10H7F2N3O, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(86404-63-9).

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.Yin, Ben-Tao; Lv, Jing-Song; Wang, Yan; Zhou, Cheng-He researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Synthetic Route of C10H7F2N3O.They published the article 《(Z)-1-(2,4-Difluorophenyl)-3-(4-fluorophenyl)-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: mol structure fluorophenyl triazolyl propenone; crystal structure fluorophenyl triazolyl propenone. We’ll tell you more about this compound (cas:86404-63-9).

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 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 A validated stability-indicating liquid chromatographic method for determination of degradation impurities and diastereomers in voriconazole tablets, published in 2012-12-31, which mentions a compound: 86404-63-9, mainly applied to voriconazole determination RP HPLC diastereomer degradation impurity tablet; Development; Forced Degradation study; HPLC; Validation; Voriconazole, Reference of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.

A reversed-phase gradient liquid chromatog. method was developed for the quant. determination of Voriconazole, along with its degradation and diastereomeric impurities in tablet dosage form. Chromatog. separation was achieved on an Inertsil ODS 3V, 150 × 4.6 mm, 5 μm column. The mobile phase consisting of solvent A 0.05 M (M) potassium dihydrogen phosphate (pH 2.5 buffer) and solvent B (mixture of acetonitrile and MeOH in the ratio 90:10 (volume/volume)), was delivered at a flow rate of 1.2 mL min-1 with the detection wavelength at 256 nm. Resolution of Voriconazole and all 5 potential impurities was achieved at > 2.0 for all pairs of compounds The drug was subjected to stress conditions such as oxidative, acid and base hydrolysis, and thermal and photolytic degradation Voriconazole was found to degrade significantly under base hydrolysis stress conditions compared to acid hydrolysis stress conditions. The degradation products were well-resolved from the main peak and its impurities, thus proving the stability-indicating power of the method. The stressed samples were assayed against a reference standard and the mass balance was found to be close to 99.0%. The developed method was validated as per ICH guidelines with respect to specificity, linearity, limit of detection, limit of quantification, accuracy, precision, and robustness.

Here is a brief introduction to this compound(86404-63-9)Reference of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, if you want to know about other compounds related to this compound(86404-63-9), you can read my other articles.

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.Shaikh, Kabeer A.; Patil, Ashish T. researched the compound: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone( cas:86404-63-9 ).Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone.They published the article 《A validated stability-indicating liquid chromatographic method for determination of degradation impurities and diastereomers in voriconazole tablets》 about this compound( cas:86404-63-9 ) in Scientia Pharmaceutica. Keywords: voriconazole determination RP HPLC diastereomer degradation impurity tablet; Development; Forced Degradation study; HPLC; Validation; Voriconazole. We’ll tell you more about this compound (cas:86404-63-9).

A reversed-phase gradient liquid chromatog. method was developed for the quant. determination of Voriconazole, along with its degradation and diastereomeric impurities in tablet dosage form. Chromatog. separation was achieved on an Inertsil ODS 3V, 150 × 4.6 mm, 5 μm column. The mobile phase consisting of solvent A 0.05 M (M) potassium dihydrogen phosphate (pH 2.5 buffer) and solvent B (mixture of acetonitrile and MeOH in the ratio 90:10 (volume/volume)), was delivered at a flow rate of 1.2 mL min-1 with the detection wavelength at 256 nm. Resolution of Voriconazole and all 5 potential impurities was achieved at > 2.0 for all pairs of compounds The drug was subjected to stress conditions such as oxidative, acid and base hydrolysis, and thermal and photolytic degradation Voriconazole was found to degrade significantly under base hydrolysis stress conditions compared to acid hydrolysis stress conditions. The degradation products were well-resolved from the main peak and its impurities, thus proving the stability-indicating power of the method. The stressed samples were assayed against a reference standard and the mass balance was found to be close to 99.0%. The developed method was validated as per ICH guidelines with respect to specificity, linearity, limit of detection, limit of quantification, accuracy, precision, and robustness.

Here is a brief introduction to this compound(86404-63-9)Name: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, if you want to know about other compounds related to this compound(86404-63-9), you can read my other articles.

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

Computed Properties 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 Spray-dried voriconazole-cyclodextrin complexes: Solubility, dissolution rate and chemical stability. Author is Miletic, Tijana; Kyriakos, Kachrimanis; Graovac, Adrijana; Ibric, Svetlana.

The present work investigates the effect of complexation with hydroxypropyl-beta-cyclodextrin (HPBCD) and 2-O-methyl-beta-cyclodextrin (2-O-MBCD), on voriconazole solubility, dissolution rate and chem. stability. Drug-cyclodextrin complexes were prepared as aqueous solutions, which were spray-dried, and their properties were compared to wet ground samples and phys. mixtures DSC anal. revealed absence of crystalline voriconazole from spray-dried complexes. FTIR spectroscopy indicated changes in the H-bonding network of the hydroxyl groups of cyclodextrin following drug inclusion. Dissolution rate of voriconazole was significantly higher from spray-dried complexes with either cyclodextrin in comparison with free drug, phys. mixtures, or wet ground mixtures However, two degradation impurities were found in aged samples, with slightly higher impurity level with HPBCD. Performed solubility studies suggested that 2-O-MBCD is more efficient solubilizer. Mol. docking simulations showed a difference in the 1:1 binding affinities and sites, with HPBCD surprisingly forming complexes of much lower energy, thus suggesting a multiple rather than a 1:1 complexation.

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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. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of 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, synthesis, and biological evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase. Author is Chai, Xiaoyun; Zhang, Jun; Hu, Honggang; Yu, Shichong; Sun, Qingyan; Dan, Zhigang; Jiang, Yuanying; Wu, Qiuye.

Based on the results of computational docking to the active site of the cytochrome P 450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols I (R = H, 2-F, 2,4-Cl2, 4-MeO2C, PhO2C, etc.) as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. The MIC80 values indicate that compounds I (R = H, 2-F, 4-Me, etc.) exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole, while I (R = COOR1, R1 = Me, Et, iso-Pr, COOAr, etc.; Ar = Ph, 3-O2NC6H4, 4-ClC6H4, 2-MeO2CC6H4, etc.) showed no activity or only moderate activity against all fungi tested. Noticeably, the MIC value of I (R = H, 2-F, 4-Cl) is 64 times lower than that of fluconazole against Microsporum gypseum in vitro. And I (R = H, 2-F, CO2Et) showed 128 times higher activity (with the MIC80 value of 0.0039 μg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other pos. controls. Computational docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. In addition, the activity of the compounds would be enhanced when the side chains were shorter.

Here is a brief introduction to this compound(86404-63-9)Recommanded Product: 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone, if you want to know about other compounds related to this compound(86404-63-9), you can read my other articles.

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

Quality Control of 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of 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 1-(2,4-Difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol. Author is Kesternich, Victor; Nelson-Gonzalez, Ronald; Perez-Fehrmann, Marcia; Cardenas, Alejandro; Brito, Ivan.

In the title compound, C10H9F2N3O, the dihedral angle between the mean planes of the triazole and benzene rings is 20.6 (2)°. In the crystal, mols. are linked by strong O-H··· N hydrogen bonds into chains with graph-set notation C(9) along [100]. Weak C-H···N and C-H···F interactions are also observed Crystallog. data are given.

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