HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 479823Generated: October 26, 2026
Aluminium lithium hydride → (1-Benzylazepan-3-yl)methanol
https://huagongshe.com/reaction/479823
Participants
| Role | Name | HCID | Charge |
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| Reactant | Aluminium lithium hydride | HCID 21226445 | — |
| Reactant | Methyl 1-benzyl-2-oxoazepane-3-carboxylate | HCID 21902024 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Ammonia | HCID 222 | — |
| Product | (1-Benzylazepan-3-yl)methanol | HCID 21901990 | 117.5% |
Reaction Steps
1-Benzyl-2-oxo-azepan-2-carboxylic acid methyl ester (143) (0.2154 g, 0.8243 mmol) dissolved in anhydrous THF (2.9 mL) was added to a stirring suspension of LiAlH4 in THF (1.5 mL) over approx. 1.5 hours. The reaction mixture was stirred overnight. The reaction was judged complete by TLC and was quenched by the sequential addition of H2O (0.4 mL), then 2N NaOH (1.0 mL) and H2O (0.4 mL). The mixture was stirred at room temperature for 30 minutes, then was filtered, dried with Na2SO4, and concentrated in vacuo. Crude material was purified by automated silica gel chromatography with 15:85:5 CH2Cl2:Hexanes:2N NH3 in EtOH to obtain 0.1062 g (59%) of pure (1-benzyl-azepan-3-yl)-methanol (144). 1H NMR (CDCl3) 7.40-7.23 (5H, m), 3.65 (2H, s), 3.54 (1H, dd, J=10.4, 3.5 Hz), 3.43 (1H, dd, J=10.4, 5.4 Hz), 2.82 (1H, J=13.3, 3.1 Hz), 2.77 (2H, m), 2.44 (1H, ddd, J=12.2, 8.6, 3.3 Hz), 1.90-1.45 (6H, m) ppm. 13C NMR (CDCl3, 75 MHz) 139.14, 128.97, 128.14, 126.91, 67.20, 63.85, 58.49, 56.87, 39.59, 29.68, 29.43, 25.23 ppm. LRMS: 219.64.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06645980B1 |
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| Source dataset | uspto-grants-2003_11 |
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| ORD ID | ord-3581611d190b4dc098ab21c7d17e8b0b |
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| Source note | uspto-grants-2003_11 |
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