HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1870524Generated: October 31, 2026
1-Hydroxybenzotriazole → 2,3-Dihydro-1-benzoxepine-4-carboxamide
https://huagongshe.com/reaction/1870524
Participants
| Role | Name | HCID | Charge |
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| Reactant | 1-Hydroxybenzotriazole | HCID 75771 | — |
| Reactant | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Reactant | (4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amine | HCID 9877845 | — |
| Reactant | 7-(3,4-Methlenedioxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid | HCID 18472204 | — |
| Catalyst | 4-(Dimethylamino)pyridine | HCID 14284 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Triethylamine | HCID 8471 | — |
| Product | 2,3-Dihydro-1-benzoxepine-4-carboxamide | HCID 18472300 | 222.6% |
Reaction Steps
To a solution of 7-(3,4-methlenedioxyphenyl)-2,3-dihydro-1-benzoxepine-4-carboxylic acid (0.14 g), 4-(N-methyl-N-(tetrahydropyran-4-yl)aminomethyl)aniline (0.11 g) and 1-hydroxy-benzotriazole (0.15 g) in dimethylformamide (10 ml) was added 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (0.13 g) under ice-cooling. Under nitrogen atmosphere, the reaction mixture was warmed to room temperature. To the mixture were added 4-dimethylaminopyridine (3 mg) and triethylamine (0.19 ml), and the mixture was stirred for 18 hours, poured into water, and extracted with ethyl acetate. The organic layer was washed with water and saturated sodium chloride solution, and dried with anhydrous magnesium sulfate. Under reduced pressure, the solvent was evaporated, and the residue was purified with silica gel column (ethyl acetate) to give 7-(3,4-methlenedioxyphenyl)-4-(N-methyl-N-(tetrahydropyran-4-yl)aminomethyl)phenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide (0.19 g).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US06096780 |
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| Source dataset | uspto-grants-2000_08 |
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| ORD ID | ord-e5270a2432ac4c1a942a44fe4c2ac4f1 |
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| Source note | uspto-grants-2000_08 |
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