HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1187008Generated: October 31, 2026
Sodium hydride → 2-Methoxy-5-methyl-4-(oxiran-2-yl)benzonitrile
https://huagongshe.com/reaction/1187008
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Trimethylsulfonium iodide | HCID 75127 | — |
| Reactant | 4-Formyl-2-methoxy-5-methylbenzonitrile | HCID 77231252 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 2-Methoxy-5-methyl-4-(oxiran-2-yl)benzonitrile | HCID 77231253 | — |
Reaction Steps
To a cool solution of NaH (1.20 g, 30.0 mmol) in THF (300 ml) was added dropwise a solution of trimethylsulfonium iodide (8.74 g, 42.8 mmol) in DMSO (80 mL). The resulting mixture was stirred at 0° C. under N2 for 20 min. The solution of 4-formyl-2-methoxy-5-methylbenzonitrile (5.00 g, 28.5 mmol) in THF (60 mL) was added. The resulting reaction mixture was stirred at 0° C. under N2 for 1 hr, and then it was warmed gradually to room temperature and stirred at that temperature for 12 hr. The starting material was consumed as indicated by TLC (25% ethyl acetate/hexanes). The reaction mixture was cooled to 0° C. and quenched with dropwise addition of water. The mixture was extracted with ethyl acetate (2×200 ml). The combined organic layers were washed with water, brine, then dried (MgSO4) and filtered. The filtrate was concentrated in vacuo. The residue was purified via column chromatography (silica gel, 10-30% EtOAc-hexanes) to afford 2-methoxy-5-methyl-4-(oxiran-2-yl)benzonitrile. 1H NMR (CDCl3, 500 MHz) δ 7.35 (s, 1H), 6.88 (s, 1H), 4.01 (s, 1H), 3.92 (s, 3H), 3.25 (s, 1H), 2.65 (d, J=2.6 Hz, 1H), 2.37 (s, 3H); LC/MS: (IE, m/z) [M+1]+=190.0; tR=2.85 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08673920B2 |
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| Source dataset | uspto-grants-2014_03 |
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| ORD ID | ord-e99d245aded543c3b93b5ec7df9d2acb |
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| Source note | uspto-grants-2014_03 |
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