85118-04-3

Basic information

• Product Name: 3,4-DIFLUOROBENZAMIDE
• Synonyms: 3,4-DIFLUOROBENZAMIDE;3,4-Difluorobenzamide 97%;3,4-Difluorobenzamide97%
• CAS NO: 85118-04-3
• Molecular Formula: C₇H₅F₂NO
• Molecular Weight: 157.12
• EINECS: 285-656-8
• Product Categories: Anilines, Amides & Amines;Fluorine Compounds;Amides;Carbonyl Compounds;Organic Building Blocks
• Mol File: 85118-04-3.mol
• Article Data: 12

Chemical Properties

• Melting Point: 129-133 °C(lit.)
• Boiling Point: 210 °C at 760 mmHg
• Flash Point: 80.8 °C
• Appearance: /
• Density: 1.348 g/cm³
• Vapor Pressure: 0.196mmHg at 25°C
• Refractive Index: 1.515
• BRN: 4177621
• CAS DataBase Reference: 3,4-DIFLUOROBENZAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-DIFLUOROBENZAMIDE(85118-04-3)
• EPA Substance Registry System: 3,4-DIFLUOROBENZAMIDE(85118-04-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-36/37
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 85118-04-3(Hazardous Substances Data)

Usage

General Description

3,4-Difluorobenzamide is a chemical compound with the molecular formula C7H5F2NO. It is a crystalline solid with a melting point of 97-99°C and a boiling point of 294°C. 3,4-Difluorobenzamide is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs and pharmaceutical compounds. It is also used as a building block in organic synthesis and in the production of agrochemicals. 3,4-DIFLUOROBENZAMIDE is known for its high purity and is commonly used in research and development laboratories for its versatility and effectiveness in various chemical reactions. Additionally, 3,4-Difluorobenzamide is also used as a reagent in organic synthesis and drug discovery. Overall, this compound has a wide range of applications in different industries due to its chemical properties and versatility.

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

Upstream product

• 5216-25-1 4-chlorotrichloromethylbenzene 
• 2494-79-3 4-chloro-3-(chlorosulfonyl)benzoic acid 
• 64248-62-0 3,4-Difluorobenzonitrile 
• 367-11-3 ortho-difluorobenzene 
• 127986-80-5 4-fluoro-3-(fluorosulfonyl)benzoyl fluoride 
• 62574-66-7 3-chlorosulfonyl-4-chlorobenzoyl chloride 
• 455-86-7 3,4-Difluorobenzoic acid 
• 328-84-7 1,2-dichloro-4-(trifluoromethyl)benzene 
• 32137-19-2 1,2-difluoro-4-(trifluoromethyl)benzene 
• 55-21-0 benzamide 
• 76903-88-3 3,4-difluorobenzoyl chloride 
• 127269-25-4 3,4-difluorobenzoyl fluoride 
• 72235-53-1 3,4-difluorobenzylamine 

Downstream Products

• 64248-62-0 3,4-Difluorobenzonitrile 
• 3863-11-4 3,4-difluoroaniline 
• 293306-83-9 2-(3,4-difluoro-phenyl)-4-phenyl-oxazole 
• 1155354-10-1 3-fluoro-4-hydroxybenzamide 
• 350-29-8 3-fluoro-4-hydroxybenzoic acid 
• 85118-07-6 3,4-Difluorobenzophenone 
• 1005336-42-4 2-(3,4-difluorophenyl)-4-(chloromethyl)-1,3-oxazole 
• 317319-14-5 3,4-difluorothiobenzamide 

Relevant articles and documents

Unlocking Amides through Selective C–N Bond Cleavage: Allyl Bromide-Mediated Divergent Synthesis of Nitrogen-Containing Functional Groups

We report a new set of reactions based on the unlocking of amides through simple treatment with allyl bromide, creating a common platform for accessing a diverse range of nitrogen-containing functional groups such as primary amides, sulfonamides, primary amines, N-acyl compounds (esters, thioesters, amides), and N-sulfonyl esters. The method has potential industrial applicability, as demonstrated through gram-scale syntheses in batch and in a continuous flow system.

Highly Selective Ruthenium-Catalyzed Direct Oxygenation of Amines to Amides

Reports on aerobic oxidation of amines to amides are rare, and those reported suffer from several limitations like poor yield or selectivity and make use of pure oxygen under elevated pressure. Herein, we report a practical and an efficient ruthenium-catalyzed synthetic protocol that enables selective oxidation of a broad range of primary aliphatic, heterocyclic and benzylic amines to their corresponding amides, using readily available reagents and ambient air as the sole oxidant. Secondary amines instead, yield benzamides selectively as the sole product. Mechanistic investigations reveal intermediacy of nitriles, which undergo hydration to afford amide as the final product.

Nitrile Hydration Reaction Using Copper Iodide/Cesium Carbonate/DBU in Nitromethane-Water

The catalytic nitrile hydration (amide formation) in a copper iodide/cesium carbonate/1,8-diazabicyclo[5.4.0]undec-7-ene/nitromethane-water system is described. The protocol is robust and reliable; it can be applied to a broad range of substrates with high chemoselectivity.