18063-03-1

Basic information

• Product Name: 2,6-Difluorobenzamide
• Synonyms: Fluorine benzaMide 2, 6-2;2,6-difluoro-benzamid;2,6-DIFLUOROBENZAMIDE;2，6-difluorobenzaminde;2,6-difluorobenzoic acid amide;2,6-Difluorobenzamide97%;2,6-Difluorbenzamid;2,6-Difluorobenzoylamide
• CAS NO: 18063-03-1
• Molecular Formula: C₇H₅F₂NO
• Molecular Weight: 157.12
• EINECS: 241-972-8
• Product Categories: Organic Building Blocks;Aryl Fluorinated Building Blocks;Building Blocks;C7;Carbonyl Compounds;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks;Other Fluorinated Organic Building Blocks;intermediate;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Amides;Carbonyl Compounds
• Mol File: 18063-03-1.mol

Chemical Properties

• Melting Point: 145-148 °C(lit.)
• Boiling Point: 51-52C/15Tor
• Flash Point: 67.3 °C
• Appearance: white powder
• Density: 1,199g/cm
• Vapor Pressure: 0.622mmHg at 25°C
• Refractive Index: 1,508
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: ethanol: soluble5%, clear to turbid, colorless to light yellow
• PKA: 14.54±0.50(Predicted)
• BRN: 2047480
• CAS DataBase Reference: 2,6-Difluorobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2,6-Difluorobenzamide(18063-03-1)
• EPA Substance Registry System: 2,6-Difluorobenzamide(18063-03-1)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20
• Safety Statements: 26-37/39-36/37
• WGK Germany: 1
• RTECS: CV4355050
• HazardClass: IRRITANT
• Hazardous Substances Data: 18063-03-1(Hazardous Substances Data)

Usage

Chemical Properties

white to yellowish powder

Uses

2,6-Difluorobenzamide (CAS# 18063-03-1) is a useful building block used in the synthesis of (E)-3-methyleneisoindolin-1-ones via oxidative annulation acrylates.

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

Upstream product

• 18063-02-0 2,6-difluorobenzoylchloride 
• 1897-52-5 2,6 difluorobenzonitrile 
• 19064-16-5 2,6-difluoro-benzaldehyde oxime 
• 385-00-2 2,6-difluorobenzoic acid 
• 372-18-9 1,3-Difluorobenzene 
• 135133-56-1 2,6-Difluoro-β,β-dimethylstyrene 
• 216064-18-5 1-(2-Methyl-2-propen-1-yl)-2,6-difluorobenzene 
• 104-12-1 p-chlorphenylisocyanate 
• 79-34-5 1,1,2,2-tetrachloroethane 
• 75-52-5 nitromethane 
• 437-81-0 2,6-difluorobenzaldehyde 
• 118-69-4 2,6-dichlorotoluene 
• 81-19-6 2,6-dichlorobenzalchloride 
• 1194-65-6 2,6-dichloro-benzonitrile 

Downstream Products

• 1897-52-5 2,6 difluorobenzonitrile 
• 60731-73-9 2,6-difluorobenzoyl isocyanate 
• 35367-38-5 1-(4-chlorophenyl)-3-(2,6-difluorobenzoyl)urea 
• 130535-64-7 N-(2,6-Difluorobenzoyl)phthalimide 
• 116800-81-8 1-(2,6-Difluoro-benzoyl)-3-(3-fluoro-phenyl)-urea 
• 119448-96-3 (2,6-Difluoro-benzoyl)-dithiocarbamic acid methyl ester 
• 936482-19-8 2,6-difluoro-N-((Z)-1-methyl-3-oxobut-1-enyl)benzamide 
• 936482-31-4 N-((Z)-1,3-dimethylbuta-1,3-dienyl)-2,6-difluorobenzamide 
• 936482-40-5 3-(2,6-difluorobenzylamino)-3,5-dimethylcyclohexa-1,4-dienecarboxylic acid methyl ester 
• 64862-26-6 1-(4-chloro-6-methyl-pyrimidin-2-yl)-3-(2,6-difluoro-benzoyl)-urea 
• 57160-56-2 1-(4-nitrophenyl)-3-(2,6-difluorobenzoyl)urea 
• 119448-98-5 N-(Bis-methylsulfanyl-methylene)-2,6-difluoro-benzamide 
• 133097-37-7 1-(2,6-Difluoro-benzoyl)-3-[3-(2,3,5,6-tetrahydro-imidazo[2,1-b]thiazol-6-yl)-phenyl]-urea 

Relevant articles and documents

SYNTHESIS OF VARIOUS AROMATIC AMIDE DERIVATIVES USING NITRILE HYDRATASE OF RHODOCOCCUS RHODOCHOROUS J1

Nitrile hydratase, that is produced abundantly in cells of Rhodococcus rhodochorous J1, catalyses the conversion of various aromatic nitrile derivatives to the corresponding amides.Using Rh. rhodochorous J1 resting cells, the conditions for the production of benzamide, 2,6-difluorobenzamide, indolacetamide, thiophenecarboxamide and furanecarboxamide were optimized.Under the determined conditions, 489 g of benzamide, 306 g of 2,6-difluorobenzamide, 1045 g of 3-indoleacetamide, 210 g of 2-thiophenecarboxamide and 522 g of 2-furanecarboxamide were produced, with 100percent molar conversion, from the corresponding nitriles, per litre of reaction mixture.

Preparation method of 2,6-difluorobenzamide

The invention provides a preparation method of 2,6-difluorobenzamide with hydrogen fluoride as a reaction raw material, wherein the method improves the atom utilization rate of the reaction, can produce a byproduct acid, effectively reduces the production cost of the product, and improves the market competitiveness of the product; besides, the whole process does not generate mixed waste salt, and the process flow is simple.

Design, synthesis, and bioactivities of novel pyridazinone derivatives containing 2-phenylthiazole or oxazole skeletons

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Synthesis method of insecticide teflubenzuron and intermediate 2,6-difluorobenzamide of insecticide teflubenzuron

The invention discloses a synthesis method of an insecticide teflubenzuron and an intermediate 2,6-difluorobenzamide of the insecticide teflubenzuron, belonging to the field of pesticides. The synthesis method comprises the following steps: step 1, preparation of 2,6-dichlorobenzylidene chloride: preparing turbid liquid of dichlorotoluene and phosphorus pentachloride, introducing chlorine gas, layering materials by utilizing a gas-liquid separator, collecting a crude product, and rectifying the crude product to obtain the 2,6-dichlorobenzylidene chloride; and 2, preparation of 2,6-dichlorobenzonitrile: mixing 2,6-dichlorobenzylidene chloride, acetic acid, zinc chloride, hydroxylamine hydrochloride and sodium acetate, carrying out heating for a reflux reaction, conducting cooling, stirring,filtering and drying successively after the reaction is completed so as to obtain 2, 6-dichlorobenzonitrile. By adopting a one-pot method, a reaction route is shortened, total yield is increased to 67.3% from conventional 55.4%, and cost is greatly reduced.

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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.

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A series of novel 2,4,5-trisubstituted 1,3-thiazole derivatives containing hydrazide–hydrazine, and carboxamide moiety including 46 compounds T were synthesized, and evaluated for their antitumor activity in vitro against a panel of five human cancer cell lines. Eighteen title compounds T displayed higher inhibitory activity than that of 5-Fu against MCF-7, HepG2, BGC-823, Hela, and A549 cell lines. Especially, T1, T26 and T38 exhibit best cytotoxic activity with IC50values of 2.21?μg/mL, 1.67?μg/mL and 1.11?μg/mL, against MCF-7, BCG-823, and HepG2 cell lines, respectively. These results suggested that the combination of 1,3-thiazole, hydrazide–hydrazone, and carboxamide moiety was much favorable to cytotoxicity activity. Furthermore, the flow cytometry analysis revealed that compounds T1 and T38 could induce apoptosis in HepG2 cells, and it was confirmed T38 led the induction of cell apoptosis by S cell-cycle arrest.