HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1735489Generated: October 25, 2026
4-Cyanophenol → 4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile
https://huagongshe.com/reaction/1735489
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 4-Cyanophenol | HCID 13019 | — |
| Reactant | 1,8-Diazabicyclo(5.4.0)undec-7-ene | HCID 81184 | — |
| Reactant | Methyl 1,1-dimethyl-2-propynyl carbonate | HCID 11073523 | — |
| Catalyst | Copper | HCID 23978 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | 4-[(2-Methylbut-3-yn-2-yl)oxy]benzonitrile | HCID 2779072 | — |
Reaction Steps
To a solution of 4-cyanophenol (3.0 g, 25.18 mmol) and methyl 1,1-dimethyl-2-propynyl carbonate (3.93 g, 27.64 mmol) in acetonitrile (24 mL) at 0° C. under argon was added DBU (5.0 mL, 33.43 mmol). To the resulting solution at 0° C. was added cuprous chloride (7.47 mg, 0.003 eq., 0.3 mol %) and copper bronze (83 mg). After stirring at 0° C. for 23 hours, the reaction mixture was filtered and the filtrate was diluted with toluene (~400 mL). The resulting solution was washed with 1N HCl (×2), 1N NaOH (×2), and brine. After drying (magnesium sulfate), the solvent was removed at reduced pressure to give crude title compound as a pale yellow oil (4.18 g). Distillation of the crude material (bulb-to-bulb) afforded the title compound as a colorless, low melting (mp 28°-29° C.) solid (4.02 g).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US05536833 |
|---|
| Source dataset | uspto-grants-1996_07 |
|---|
| ORD ID | ord-95f3292b1ed448afbf399b67b0efaa6c |
|---|
| Source note | uspto-grants-1996_07 |
|---|