HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 628649Generated: October 29, 2026
Acetonitrile → 3-(3-Bromophenyl)-3-hydroxypropanenitrile
https://huagongshe.com/reaction/628649
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | 3-Bromobenzaldehyde | HCID 76583 | — |
| Reactant | Lithium diisopropylamide | HCID 2724682 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 3-(3-Bromophenyl)-3-hydroxypropanenitrile | HCID 57608363 | — |
Reaction Steps
To a −78° C. solution of acetonitrile (1.05 mL, 20 mmol) in anhydrous THF (25 mL) under argon, was added lithium diisopropylamide (11 mL of a 2 M solution in THF, 22 mmol) dropwise. The resulting mixture was stirred at −78° C. for 15 min. A solution of 3-bromobenzaldehyde (7) (2.78 g, 15 mmol) in anhydrous THF (10 mL) was added dropwise. The reaction mixture was allowed to warm to room temperature, then concentrated under reduced pressure and diluted with EtOAc (75 mL). The solution was washed with water (50 mL) and brine (50 mL), dried over Na2SO4 and concentrated under reduced pressure. Purification by flash chromatography (20 to 100% EtOAc-hexanes gradient) gave 3-(3-bromophenyl)-3-hydroxypropanenitrile (120) as a light yellow oil. Yield (2.75 g, 81%): 1H NMR (400 MHz, DMSO-d6) δ 7.60 (t, J=1.6 Hz, 1H), 7.46 (ddd, J=7.6, 2.0, 1.2 Hz, 1H), 7.40 (dd, J=7.6, 2.0 Hz, 1H), 7.31 (t, J=7.6 Hz, 1H), 6.05 (d, J=4.8 Hz, 1H), 2.94-2.80 (m, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09314467B2 |
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| Source dataset | uspto-grants-2016_04 |
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| ORD ID | ord-53c106608cf648889675a28c0ce02922 |
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| Source note | uspto-grants-2016_04 |
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