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
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Sodium Carbonate | HCID 10340 | — |
| Reactant | 3-Fluoro-5-(trifluoromethyl)benzeneboronic acid | HCID 2783192 | — |
| Reactant | 6-Amino-3-bromo-2-methylbenzonitrile | HCID 22465737 | — |
| Catalyst | HCID 178418397 | HCID 178418397 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Water | HCID 962 | — |
| Product | 2-Amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrile | HCID 54568840 | 103% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05874579 |
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| Source dataset | uspto-grants-1999_02 |
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| ORD ID | ord-b583c4ae6dcd478b86aafb825d72723d |
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| Source note | uspto-grants-1999_02 |
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