915416-45-4

Basic information

• Product Name: 3',4',5'-trifluorobiphenyl-2-aMine
• Synonyms: 3',4',5'-trifluorobiphenyl-2-aMine;3',4',5'-trifluoro-[1,1'-biphenyl]-2-aMine;2-(3,4,5-Trifluorophenyl)aniline;3,4,5-Trifluoro-2'-aminobiphenyl;3',4',5'-Trifluorobiphenyl-2-ylamine
• CAS NO: 915416-45-4
• Molecular Formula: C₁₂H₈F₃N
• Molecular Weight: 223.1938296
• Mol File: 915416-45-4.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 303.7±37.0 °C(Predicted)
• Appearance: /
• Density: 1.315
• Storage Temp.: 2-8°C(protect from light)
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 2.17±0.10(Predicted)
• CAS DataBase Reference: 3',4',5'-trifluorobiphenyl-2-aMine(CAS DataBase Reference)
• NIST Chemistry Reference: 3',4',5'-trifluorobiphenyl-2-aMine(915416-45-4)
• EPA Substance Registry System: 3',4',5'-trifluorobiphenyl-2-aMine(915416-45-4)

Safety Data

• Hazardous Substances Data: 915416-45-4(Hazardous Substances Data)

Usage

Uses

3'',4'',5''-Trifluoro-[1,1''-biphenyl]-2-amine is a building block used in various chemical synthesis.

Flammability and Explosibility

Nonflammable

Upstream product

• 62-53-3 aniline 
• 5570-18-3 2-aminophenylboronic acid 
• 138526-69-9 3,4,5-trifluoro-1-bromobenzene 
• 191171-55-8 2-anilineboronic acid pinacol ester 
• 88-73-3 2-Chloronitrobenzene 
• 95-51-2 o-chloroaniline 
• 143418-49-9 3,4,5-trifluorophenylboronic acid 
• 1056196-56-5 2-nitro-3',4',5'-trifluoro-1,1'-biphenyl 
• 873-32-5 2-Chlorobenzonitrile 
• 884-29-7 N-benzylidene-2-chloroaniline 
• 15163-59-4 potassium o-nitrobenzoate 
• 615-36-1 2-bromoaniline 
• 1241382-70-6 N,N-dimethyl-N'-(3',4',5'-trifluorobiphenyl-2-yl)formamidine 
• 156006-28-9 3,4,5-trifluorophenylmagnesium bromide 

Downstream Products

• 915416-41-0 2-methyl-4-trifluoromethylthiazol-5-carboxylic acid (3',4',5'-trifluorobiphenyl-2-yl)amide 
• 1431223-17-4 (Py₃CH)Pd^II(3',4',5'-trifluoro-[1,1'-biphenyl]-2-yl)(I) 
• 1431223-54-9 [(Py₃CH)Pd^IV(3',4',5'-trifluoro-[1,1'-biphenyl]-2-yl)(Cl)₂][OTf] 

Relevant articles and documents

A Practical Synthesis of the Key Intermediate for Fluxapyroxad

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Pd-Catalysed Suzuki-Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides

The Suzuki-Miyaura coupling reaction of electron-poor aryl chlorides in the synthesis of crop protection-relevant active ingredients in water is disclosed. Optimisation of the reaction conditions allowed running the reaction with 50 ppm of Pd-catalyst loading without an additional organic solvent in the cross-coupling reaction step in short reaction times. The system was optimised for the initial cross-coupling step of the large scale produced fungicides Boscalid, Fluxapyroxad and Bixafen up to 97% yield. It is also shown that the Suzuki-Miyaura reaction can be easily scaled up to 50 g using a simple product separation and purification using environmentally benign solvents in the work-up. To show the usability of this method, it was additionally applied in the three-step synthesis of the desired active ingredients.

Synthesis method of fluxapyroxad intermediate

The invention relates to a synthesis method of a fluxapyroxad intermediate. In order to solve the problems of harsh and complex conditions, high cost, unsafety and the like of the existing synthesis process, 3, 4, 5-trifluorophenylboronic acid and a compound with a structural formula shown in the specification react in the presence of a catalyst, alkali and a solvent to obtain the fluxapyroxad intermediate with the structural formula shown in the specification, R1 is nitro or amino, R2 is chlorine or bromine, and the catalyst is an amine catalyst and a phase transfer catalyst. According to the invention, the preparation process is simplified, the production cost is reduced, the safety is improved, the yield of the product is improved, the practical value is very high, the industrial production is facilitated, and the application prospect is wide.