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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 363779Generated: October 25, 2026

Toluene → 2-Amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrile

https://huagongshe.com/reaction/363779

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantSodium CarbonateHCID 10340—
Reactant3-Fluoro-5-(trifluoromethyl)benzeneboronic acidHCID 2783192—
Reactant6-Amino-3-bromo-2-methylbenzonitrileHCID 22465737—
CatalystHCID 178418397HCID 178418397—
SolventEthanolHCID 702—
SolventWaterHCID 962—
Product2-Amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrileHCID 54568840103%

Reaction Conditions

Temperature80 °C

Reaction Steps

Under a dry nitrogen atmosphere, 0.5 gram (0.0004 mole) of tetrakis(triphenylphosphine)palladium(0) was added to a stirred mixture of 2.8 grams (0.0132 mole) of 2-amino-5-bromo-6-methylbenzonitrile (prepared as in Step C of Example 1), 35 mL of aqueous 2M sodium carbonate and 50 mL of toluene. To this was then added dropwise a solution of 3.3 grams (0.0159 mole) of 3-fluoro-5-trifluoromethylphenylboronic acid in 10 mL of ethanol. Upon completion of addition, the reaction mixture was warmed to about 80° C., where it was stirred for seven hours. After this time the reaction mixture was poured into 200 mL of water. The mixture was then extracted with four 100 mL portions of ethyl acetate. The combined extracts were dried with magnesium sulfate and filtered. The filtrate was concentrated under reduced pressure to a residue. The residue was subjected to column chromatography on silica gel. Elution was accomplished with methylene chloride. The product-containing fractions were combined and concentrated under reduced pressure, yielding 4.0 grams of 2-amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrile, mp 96°-97° C. The NMR spectrum was consistent with the proposed structure.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05874579
Source datasetuspto-grants-1999_02
ORD IDord-b583c4ae6dcd478b86aafb825d72723d
Source noteuspto-grants-1999_02