HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2040546Generated: October 31, 2026
Tetrahydrofuran → 2-Cyclohexyl-5-(hydroxymethyl)benzonitrile
https://huagongshe.com/reaction/2040546
Participants
| Role | Name | HCID | Charge |
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| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Lithium borohydride | HCID 4148881 | — |
| Reactant | 3-Cyano-4-cyclohexylbenzoic acid methyl ester | HCID 58020800 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | 2-Cyclohexyl-5-(hydroxymethyl)benzonitrile | HCID 58020513 | 72% |
Reaction Steps
To a solution of methyl 3-cyano-4-cyclohexylbenzoate (299.0 mg, 1.229 mmol) in 1,4-dioxane (30 mL) was added 2 M lithium borohydride solution in tetrahydrofuran (1.23 mL, 2.46 mmol). The mixture was heated under reflux for 2.5 h. The mixture was cooled to 0° C. and quenched with 1 N aqueous HCl solution slowly to pH 5. After the addition of brine solution, the mixture was extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate, concentrated under reduced pressure and purified by silica gel column chromatography to provide the title compound as a white solid (190.5 mg). LCMS m/z=216.5 [M+H]+; 1H NMR (400 MHz, CDCl3) δ ppm 1.23-1.33 (m, 1H), 1.41-1.52 (m, 4H), 1.76-1.83 (m, 1H), 1.84-1.92 (m, 4H), 2.90-3.05 (m, 1H), 4.70 (d, J=5.81 Hz, 2H), 7.36 (d, J=8.21 Hz, 1H), 7.53 (dd, J=8.27, 1.71 Hz, 1H), 7.61 (d, J=1.39 Hz, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08580841B2 |
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| Source dataset | uspto-grants-2013_11 |
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| ORD ID | ord-36893ac97aaa497a8b251c0c0bd407c4 |
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| Source note | uspto-grants-2013_11 |
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