HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isopropylamine → HCID 59416781, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isopropylamine | HCID 6363 | — |
| Reactant | 4-Methylmorpholine | HCID 7972 | — |
| Reactant | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Reactant | 1-Hydroxybenzotriazole hydrate | HCID 2796029 | — |
| Reactant | 4-(4-(Tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid | HCID 59416800 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 59416781 | HCID 59416781 | 89.7% |
Reaction Steps
4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-3-fluorobenzoic acid 302 (1.1 g, 3.39 mmol), propan-2-amine (0.241 g, 4.07 mmol), N1-((ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine hydrochloride (0.975 g, 5.09 mmol) and 1H-benzo[d][1,2,3]triazol-1-ol hydrate (0.779 g, 5.09 mmol) were suspended in DMF (13.57 mL) and 4-methylmorpholine (1.864 mL, 16.96 mmol) was added. The reaction mixture was stirred at ambient temperature for 2 h, diluted with water (50 mL), and extracted with ethyl acetate (3×100 mL). The combined organic extracts were washed with brine (3×50 mL), dried over MgSO4, and concentrated in vacuo to afford the title compound as an off-white solid (1.11 g, 3.04 mmol, 89% yield). ESI-MS: m/z 366 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08669249B2 |
| Source dataset | uspto-grants-2014_03 |
| ORD ID | ord-a70f944cda8b4d76b4a6f87cc30267f2 |
| Source note | uspto-grants-2014_03 |