103498-69-7

Basic information

• Product Name: Benzonitrile, 2,4,6-trifluoro-, radical ion(1-) (9CI)
• Synonyms: Benzonitrile, 2,4,6-trifluoro-, radical ion(1-) (9CI)
• CAS NO: 103498-69-7
• Molecular Formula: C7H2F3N
• Molecular Weight: 157.0926896
• Product Categories: HALIDE
• Mol File: 103498-69-7.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzonitrile, 2,4,6-trifluoro-, radical ion(1-) (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 2,4,6-trifluoro-, radical ion(1-) (9CI)(103498-69-7)
• EPA Substance Registry System: Benzonitrile, 2,4,6-trifluoro-, radical ion(1-) (9CI)(103498-69-7)

Safety Data

• Hazardous Substances Data: 103498-69-7(Hazardous Substances Data)

Upstream product

• 31881-89-7 3,5-dichloro-2,4,6-trifluorobenzonitrile 
• 20925-85-3 pentachlorobenzonitrile 
• 82019-50-9 2,4,6-trifluorobenzamide 

Downstream Products

• 1226784-85-5 2-(3-ethanesulfonylamino-phenoxy)-4-fluoro-6-(2-fluoro-4-iodo-phenylamino)-benzamide 
• 1226784-86-6 4-fluoro-2-(2-fluoro-4-iodo-phenylamino)-6-[3-(propane-2-sulfonylamino)-phenoxy]-benzamide 
• 1084332-51-3 2-[3-[[(propylamino)sulfonyl]amino]phenoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]-benzamide 
• 1084332-07-9 2-[3-[[(dimethylamino)sulfonyl]amino]phenoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]-benzamide 
• 1084332-48-8 4-fluoro-2-(2-fluoro-4-iodo-phenylamino)-6-(3-methanesulfonylamino-phenoxy)-benzamide 
• 1084332-49-9 4-fluoro-2-(2-fluoro-4-iodo-phenylamino)-6-(3-bis-methanesulfonylamino-phenoxy)-benzamide 
• 1084332-52-4 2-(3-acetylamino-phenoxy)-4-fluoro-6-(2-fluoro-4-iodo-phenylamino)-benzamide 
• 1084331-90-7 N'-[3-[2-cyano-5-fluoro-3-[(2-fluoro-4-iodophenyl)amino]phenoxy]phenyl]-N,N-dimethyl-sulfamide 
• 1084331-67-8 2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide 
• 1084331-68-9 2-(3,4-dihydroxybutoxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]benzamide 
• 1084331-66-7 2-(3,4-dihydroxybutoxy)-4-fluoro-6-[(2-fluoro-4-iodophenyl)amino]-benzonitrile 

Relevant articles and documents

Mechanistic Insights into C(sp2)?C(sp)N Reductive Elimination from Gold(III) Cyanide Complexes

A new family of phosphine-ligated dicyanoarylgold(III) complexes has been prepared and their reactivity towards reductive elimination has been studied in detail. Both, a highly positive entropy of activation and a primary 12/13C KIE suggest a late concerted transition state while Hammett analysis and DFT calculations indicate that the process is asynchronous. As a result, a distinct mechanism involving an asynchronous concerted reductive elimination for the overall C(sp2)?C(sp)N bond forming reaction is characterized herein, for the first time, complementing previous studies reported for C(sp3)?C(sp3), C(sp2)?C(sp2), and C(sp3)?C(sp2) bond formation processes taking place on gold(III) species.

Preparation method of compound 2,4,6-trifluorobenzylamine

The invention discloses a preparation method of a compound 2,4,6-trifluorobenzylamine, and relates to the field of organic synthesis. According to the preparation method, pentachlorobenzonitrile is used as a starting raw material and is subjected to a fluorination reaction with a fluorinating agent in an organic solvent under the action of a catalyst to obtain 3,5-dichloro-2,4,6-trifluorobenzonitrile. The obtained 3,5-dichloro-2,4,6-trifluorobenzonitrile is added into water and reacts with zinc powder and mixed acid, and then reflux dechlorination is performed to obtain 2,4,6-trifluorobenzonitrile. The obtained 2,4,6-trifluorobenzonitrile is added into an organic solvent, and hydrogenation reduction is carried out under the action of an organic alkali and a catalyst to obtain the product 2,4,6-trifluorobenzylamine. The method has the advantages of short synthesis route, simple operation, mild reaction conditions, cheap and easily available raw materials and stable product quality, andis suitable for large-scale industrial production.

Preparation method of 2,4,6-trifluorobenzylamine

The invention provides a preparation method of 2,4,6-trifluorobenzylamine. The preparation method comprises the following steps: S1, by taking pentachloro benzonitrile as a starting material, adding the pentachloro benzonitrile into anhydrous potassium fluoride for fluorination reaction in a first organic solvent, thus obtaining 3,5-dichloro-2,4,6-trifluoro-cyanophenyl; S2a, adding the 3,5-dichloro-2,4,6-trifluoro-cyanophenyl prepared in the step S1 into a second organic solvent, adding organic alkali, feeding hydrogen, and carrying out dehydrochlorination reaction under the action of a firstcatalyst, thus obtaining 2,4,6-trifluoro-cyanophenyl serving as an intermediate; S3, adding the 2,4,6-trifluoro-cyanophenyl prepared in the step S2a into a third organic solvent, adding acid, feedinghydrogen, and reducing the 2,4,6-trifluoro-cyanophenyl serving as the intermediate through a cyanogroup under the action of a second catalyst, thus obtaining 2,4,6-trifluorobenzylamine. By the adoption of the technical scheme, the preparation method has the advantages that steps of a synthesis route are simple and short, conditions are mild, operation is simple and convenient, the raw materials are low in cost and readily available, and the production cost is low; the catalysts and solvents can be recycled for use, so that pollution is reduced; the preparation method is environmentally friendly and suitable for industrial large-scale production.