247092-13-3

Basic information

• Product Name: Benzaldehyde, 2,5-difluoro-, oxime (9CI)
• Synonyms: Benzaldehyde, 2,5-difluoro-, oxime (9CI)
• CAS NO: 247092-13-3
• Molecular Formula: C₇H₅F₂NO
• Molecular Weight: 157.1175064
• Product Categories: HALIDE
• Mol File: 247092-13-3.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 207.0±30.0 °C(Predicted)
• Appearance: /
• Density: 1.26±0.1 g/cm3(Predicted)
• PKA: 10.28±0.10(Predicted)
• CAS DataBase Reference: Benzaldehyde, 2,5-difluoro-, oxime (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzaldehyde, 2,5-difluoro-, oxime (9CI)(247092-13-3)
• EPA Substance Registry System: Benzaldehyde, 2,5-difluoro-, oxime (9CI)(247092-13-3)

Safety Data

• Hazardous Substances Data: 247092-13-3(Hazardous Substances Data)

Upstream product

• 2646-90-4 2,5-difluorobenzaldehyde 

Downstream Products

• 159693-02-4 2,5-difluoro-N-hydroxybenzimidoyl chloride 
• 159693-28-4 5-(Chloro-difluoro-methyl)-3-(2,5-difluoro-phenyl)-isoxazole-4-carboxylic acid methyl ester 
• 1217800-52-6 4-{(2,5-Difluoro-phenyl)-[(E)-hydroxyimino]-methyl}-piperazine-1-carboxylic acid tert-butyl ester 
• 64248-64-2 2,5-difluorobenzonitrile 

Relevant articles and documents

Preparation method 2 -amino -5 -fluorobenzonitrile

The invention discloses a preparation method of 2 - amino -5 - fluorobenzonitrile, which comprises the specific steps of (1) taking 2, 5 - difluorobenzaldehyde as a starting raw material, condensation reaction with hydroxylamine hydrochloride under the conditions of triethylamine, and generating compound III. (2) Compound III is dehydrated with phosphorus oxychloride to form compound IV. (3) Compound IV is decomposed by ammonia to form compound I. That is 2 - amino -5 - fluorobenzonitrile. The preparation method is higher in yield.

Design, synthesis, and in vitro evaluation of novel triazole analogues featuring isoxazole moieties as antifungal agents

In order to develop novel antifungal agents, based on our previous work, a series of (2R,3R)-3-((3-substitutied-isoxazol-5-yl)methoxy)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl) butan-2-ol (a1-a26) were designed and synthesized. All of the compounds exhibited good in vitro antifungal activities against eight human pathogenic fungi. Among them, compound a6 showed excellent inhibitory activity against Candida albicans and Candida parasilosis with MIC80 values of 0.0313 μg/mL. In addition, compounds a6, a9, a12, a13 and a14 exhibited moderate inhibitory activities against fluconazole-resistant isolates with MIC80 values ranging from 8 μg/mL to 16 μg/mL. Furthermore, compounds a6, a12 and a23 exhibited low inhibition profiles for CYP3A4. Clear SARs were analyzed, and the molecular docking experiment was carried out to further investigate the relationship between a6 and the target enzyme CYP51.

Triazole alcohol derivative and preparation method and application thereof

The invention relates to a triazole alcohol derivative and a preparation method and application thereof. The chemical structure of the triazole alcohol derivative is as shown in the formula I. The invention also provides salt of the compound, a pharmaceutical composition, a preparation method and application. The compound of the invention has strong antifungal activity, has advantages of low toxicity and wide antimicrobial spectrum, and can be used for preparation of antifungal drugs.