HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 16886Generated: October 26, 2026
Acetic Acid → Ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoate
https://huagongshe.com/reaction/16886
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | (1-Ethoxycyclopropoxy)trimethylsilane | HCID 2734686 | — |
| Reactant | Sodium cyanoborohydride | HCID 5003444 | — |
| Reactant | Ethyl 4-(1,4-diazepan-1-yl)benzoate | HCID 18425301 | — |
| Solvent | Methanol | HCID 887 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoate | HCID 66589916 | 118% |
Reaction Steps
A solution of ethyl 4-(1,4-diazepan-1-yl)benzoate (0.621 g, 2.5 mmol), (1-ethoxycyclopropoxy)trimethylsilane (2.51 mL, 12.50 mmol) and acetic acid (0.286 mL, 5.00 mmol) in tetrahydrofuran (50 mL), methanol (5 mL) was treated with sodium cyanoborohydride (0.393 g, 6.25 mmol) at 20° C. The resulting solution was stirred at 60° C. for 18 h. The reaction mixture was cooled, filtered and evaporated to dryness. 1N HCl (40 ml) and water (60 ml) were added and the solution extracted with ethyl acetate (3×50 ml). The aqueous layer was basified to pH 10 with solid potassium carbonate and extracted with ethyl acetate (4×50 ml). The organic extracts washed with saturated NaCl (50 ml) and dried over MgSO4, filtered and evaporated to dryness. The crude product was purified by silica column chromatography, eluting with a gradient of 0 to 5% MeOH in DCM. Pure fractions were evaporated to dryness to afford ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoate (0.849 g, 118%) as a colourless oil.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07737149B2 |
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| Source dataset | uspto-grants-2010_06 |
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| ORD ID | ord-5ea8033f01d946058fca533261c3438e |
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| Source note | uspto-grants-2010_06 |
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