85118-02-1

Basic information

• Product Name: 2,4-DIFLUOROBENZAMIDE
• Synonyms: 2,4-DIFLUOROBENZAMIDE;DIFLUORO BENZAMIDE;Benzamide, 2,4-difluoro-;2,4-Difluorobenzamide 99%;2,4-Difluorobenzamide99%;2,4-fluorobenzamide
• CAS NO: 85118-02-1
• Molecular Formula: C₇H₅F₂NO
• Molecular Weight: 157.12
• EINECS: 285-654-7
• Product Categories: Anilines, Amides & Amines;Fluorine Compounds;Amides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 85118-02-1.mol

Chemical Properties

• Melting Point: 161-165 °C(lit.)
• Boiling Point: 200.4±30.0℃ (760 Torr)
• Flash Point: 75.0±24.6℃
• Appearance: WHITE TO BROWN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Density: 1.348±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.325mmHg at 25°C
• Refractive Index: 1.515
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 15.19±0.50(Predicted)
• CAS DataBase Reference: 2,4-DIFLUOROBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-DIFLUOROBENZAMIDE(85118-02-1)
• EPA Substance Registry System: 2,4-DIFLUOROBENZAMIDE(85118-02-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 85118-02-1(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powde

InChI:InChI=1/C7H5F2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)

Upstream product

• 1550-35-2 2,4-difluorobenzaldehyde 
• 72482-64-5 2,4-difluorobenzoyl chloride 
• 1583-58-0 2,4-difluoro-benzoic acid 

Downstream Products

• 175276-92-3 2,4-difluorobenzene-1-carbothioamide 
• 3939-09-1 2,4-difluorobenzonitrile 
• 67152-20-9 2,4-difluoro-5-nitrobenzonitrile 
• 952285-54-0 5-amino-2,4-difluorobenzonitrile 
• 17654-70-5 4,6-difluoro-isophthalonitrile 
• 262589-15-1 2-(2,4-difluorophenyl)thiazole-4-carboxylic acid 
• 175276-93-4 ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate 
• 881401-84-9 [2-(2,4-Difluoro-phenyl)-thiazol-4-yl]-carbamic acid tert-butyl ester 
• 104326-92-3 ethyl o,p-difluorobenzimidate 

Relevant articles and documents

Novel method for synthesizing dolutegravir key intermediate 2,4-difluorobenzylamine

The invention discloses a novel production method which is concise and green in route, low in cost and easy to industrialize to prepare 2,4-difluorobenzylamine. The method comprises the following twosteps: a) at certain pressure, carrying out a carbonylation reaction on m-difluorobenzene and CO in the presence of a catalyst so as to generate 2,4-difluorobenzaldehyde, or carrying out a formylationreaction on m-difluorobenzene, namely carrying out chlorocarbene substitution on m-difluorobenzene in a chloroform strong base system, and further carrying out hydrolysis so as to prepare a product 2,4-difluorobenzaldehyde (Reimer-Tiemann reactions); b) putting the product 2,4-difluorobenzaldehyde of the step a) into an alcohol solvent, at certain pressure, in the presence of the catalyst, carrying out a reduction ammonolysis reaction on the component with an ammonia gas and hydrogen directly in the presence of a catalyst, or enabling the component to react with ammonium formate, thereby obtaining the 2,4-difluorobenzylamine. The preparation method disclosed by the invention is simple and easy in raw material obtaining, concise in route, green and environmentally friendly, low in cost andeasy in industrial production.

A process for preparing 2, 4 - difluoro phenyl nitrile (by machine translation)

The invention discloses a 2, 4 - difluoro phenyl nitrile preparation process, steps are as follows: (1) to 2, 4 - difluoro-benzoic acid and thionyl chloride as the raw material, produced by the reaction of 2, 4 - difluoro-benzoyl chloride; (2) the 2, 4 - difluoro-benzoyl chloride with ammonia water reaction, generating 2, 4 - difluoro-benzamide; (3) the 2, 4 - difluoro-benzamide with trifluoroacetic anhydride reaction, namely the preparation of the 2, 4 - difluoro phenyl nitrile. The invention relates to 2, 4 - difluoro phenyl nitrile synthetic reaction raw materials and synthetic route optimized design, the present invention adopted in the reaction raw material is cheap, it is safe to use; mild reaction conditions, does not need high temperature reaction, low requirements on the equipment, the yield of the product is high, high purity, easy to realize industrial production. (by machine translation)

A 4, 6 - double-halogenated isophthalonitrile preparation method (by machine translation)

The present invention relates to the technical field of the synthesis of pharmaceutical intermediates, in particular to a 4, 6 - double-halogenated isophthalonitrile preparation method, through the use of cheap and easily obtained 2, 4 - double-halo benzoic acid as the raw material, the reaction of the halide, the amidation reaction, dehydration reaction, the nitration reaction, reduction reaction, the diazotization reaction, the substitution reaction for the synthesis of 4, 6 - double-halogenated isophthalonitrile; the total yield can be 21.5%. The process route is easily obtained and cheap materials, few by-products, the purification treatment is the process is simple, easy to realize industrial production. (by machine translation)

Synthesis and evaluation of a new series of substituted acyl(thio)urea and thiadiazolo [2,3-a] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase

A series of substituted acyl(thio)urea and 2H-1,2,4-thiadiazolo [2,3-a] pyrimidine derivatives were prepared and both of their cell culture and enzymatic activity toward influenza virus were tested. Their in vitro neuraminidase inhibitory activities were in good agreement with the corresponding activities in cultured cells and they were evaluated as potent neuraminidase inhibitors. Of the analogues that demonstrated IC50s 0.1 μM, 16 and 60 were further investigated as candidates with the most potential for future development. The molecular docking work of the representative compound was described to provide more insight into their mechanism of action and further rationalize the observations of this new series herein, which represents a novel class of highly potent and selective inhibitors of influenza virus.