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

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

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.

Triazole alcohol derivative as well as preparation method and application thereof

The invention relates to a triazole alcohol derivative as well as a preparation method and application thereof. The chemical structure of the triazole alcohol derivative is shown as a formula I, R1 represents a benzene ring or a substituted benzene ring, and substituent groups of the substituted benzene ring can be located at all positions of the benzene ring, can be mono-substituted or multi-substituted, and can be selected from a) halogen which is F and Cl; b) an electron withdrawing group which is cyano or trifluoromethyl; c ) a lower alkyl of 1-4 carbon atoms or a halogen substituted loweralkyl; and d) lower alkoxy of 1-4 carbon atoms or halogen substituted lower alkoxy. The compound of the invention has strong antifungal activity, has the advantages of low toxicity, wide antibacterial spectrum and the like, and can be used for preparing antifungal drugs.

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.

Design, synthesis, and in vitro evaluation of novel antifungal triazoles

Twenty-nine novel triazole analogues of ravuconazole and isavuconazole were designed and synthesized. Most of the compounds exhibited potent in vitro antifungal activities against 8 fungal isolates. Especially, compounds a10, a13, and a14 exhibited superior or comparable antifungal activity to ravuconazole against all the tested fungi. Structure-activity relationship study indicated that replacing 4-cyanophenylthioazole moiety of ravuconazole with fluorophenylisoxazole resulted in novel antifungal triazoles with more effectiveness and a broader-spectrum.

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.

AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF A7-NICOTINIC ACETYLCHOLINE RECEPTORS

The present invention relates to novel aminobenzisoxazole compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of ot7-nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

D3 AND 5-HT2A RECEPTOR MODULATORS

The present invention provides compounds of the general formula (I) wherein X, n and R1 are as described herein, as well as pharmaceutically acceptable salts and esters thereof, methods for their manufacture, pharmaceutical compositions contain

ISOXAZOLE-PYRIDINE DERIVATIVES

The present invention is concerned with isoxazole-pyridine derivatives of formula I wherein X, R1 to R6 are as described herein. The compounds are active on the GABA A α5 receptor binding site and useful for the treatment of cognitive disorders, such as Alzheimer's disease.

AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS

The invention relates to novel bicyclononene derivatives, related compounds and use thereof as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the

Potent inhibitors of lipoprotein-associated phospholipase A2: Benzaldehyde O-heterocycle-4-carbonyloxime

A series of multi-substituted oximes were prepared and their potencies for inhibiting lipoprotein-associated phospholipase A2 (Lp-PLA2) activity were evaluated in vitro. Among them, compounds 3a, 3b, and 3m were identified to display a micromolar potency for inhibiting Lp-PLA2 in whole human plasma and isolated human LDL. Based on these results, structure-activity relationship was studied on modification of three parts of R1, R2, and R3 to identify a potent pharmacophore for Lp-PLA2. In an attempt to introduce various functional groups at R2 and R3, we discovered that replacement of less lipophilic groups led to an increase of inhibitory activity. Among the tested oxime derivatives, cyano- and morpholino-substituted analogue 4f at R2 and R3 had the highest potency with an IC50 value of 0.05 μM in whole human plasma.