HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 503168Generated: October 26, 2026
Pentamethyldiethylenetriamine → 4-Fluoro-3-[(3-fluorophenyl)-hydroxymethyl)-5-methoxybenzonitrile
https://huagongshe.com/reaction/503168
Participants
| Role | Name | HCID | Charge |
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| Reactant | Pentamethyldiethylenetriamine | HCID 18196 | — |
| Reactant | 3-Fluorobenzaldehyde | HCID 68009 | — |
| Reactant | 4-Fluoro-3-methoxybenzonitrile | HCID 2737365 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Hexane | HCID 8058 | — |
| Product | 4-Fluoro-3-[(3-fluorophenyl)-hydroxymethyl)-5-methoxybenzonitrile | HCID 22260657 | — |
Reaction Steps
To a solution of 15.0 g of 4-fluoro-3-methoxybenzonitrile and 21.8 ml of N,N,N′,N′,N″-pentamethyldiethylenetriamine in 300 ml tetrahydrofuran was added 65.5 ml of a 1.59 M solution of n-butyllithium in hexane at −78° C. in an atmosphere of nitrogen gas, followed by stirring at the same temperature for 1 hour. At the same temperature, 10.5 ml of 3-fluorobenzaldehyde was added dropwise, followed by stirring at the same temperature for 1 hour. Then, water was added and the mixture was extracted with diethyl ether. The organic layer was washed with saturated aqueous ammonium chloride solution and brine, dried over anhydrous magnesium sulfate and the solvent was evaporated. The crude product was purified and separated by silica gel column chromatography (ethyl acetate:n-hexane=1:10 to 1:3), to give 7.1 g of the title compound as a colorless oil.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07776890B2 |
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| Source dataset | uspto-grants-2010_08 |
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| ORD ID | ord-2c133a68e2d04dc3a9420908f4f8d125 |
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| Source note | uspto-grants-2010_08 |
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