HuagongsheHuagongshe Chemistry Print Report · For research reference only
Hydrochloric Acid → (1-(1,4-Diazepan-1-yl)isoquinolin-3-yl)(2-aminopyridin-3-yl)methanone dihydrochloride
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Tert-butyl 4-(3-(2-aminonicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylate | HCID 57690466 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Product | (1-(1,4-Diazepan-1-yl)isoquinolin-3-yl)(2-aminopyridin-3-yl)methanone dihydrochloride | HCID 67048264 | 98% |
Reaction Steps
To a suspension of tert-butyl 4-(3-(2-aminonicotinoyl)isoquinolin-1-yl)-1,4-diazepane-1-carboxylate (18 mg, 0.04 mmol) in 1,4-dioxane (1 ml) was added 4 M HCl in 1,4-dioxane (0.5 ml). The resulting mixture was stirred at room temperature for 5 hours. The reaction mixture was concentrated to dryness to leave title compound as a solid (16.6 mg, 98% yield). 1H NMR (CD3OD, 400 MHz) δ 2.25-2.32 (2H, s), 3.40-3.45 (2H, m), 3.55-3.60 (2H, m), 3.90-3.95 (2H, m), 4.07-4.12 (2H, m), 7.14-7.17 (1H, t), 7.81-7.89 (2H, m), 8.10-8.12 (1H, d), 8.17 (1H, s), 8.22-8.24 (1H, d), 8.29-8.31 (1H, d), 8.98-9.00 (1H, d); MS (ES+) 348.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08188071B2 |
| Source dataset | uspto-grants-2012_05 |
| ORD ID | ord-b87b606f5c8e4d5ab75f4fa57833b56c |
| Source note | uspto-grants-2012_05 |