HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isopropanol → HCID 89907953, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Hexahydro-1,4-diazepine | HCID 68163 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 5-bromo-6-chloro-N-(4-(trifluoromethoxy)phenyl)nicotinamide | HCID 86702595 | — |
| Solvent | Water | HCID 962 | — |
| Product | HCID 89907953 | HCID 89907953 | — |
Reaction Steps
A mixture of 5-bromo-6-chloro-N-(4-(trifluoromethoxy)phenyl)nicotinamide (Stage 12.2, 198 mg, 0.50 mmol), 1,4-diazepane (60.2 mg, 0.60 mmol), iPrOH (2 mL) and DIPEA (0.171 mL, 0.129 g, 2.0 mmol) were subjected to MW irradiation 140° C. for 80 min. The vial was cooled to RT and the RM was poured into water (40 mL) to give a suspension. The supernatant was decanted off and the residue was dried under vacuum to afford the title compound. UPLC-MS (Condition 8) tR=1.15 min, m/z=459.1/461.1 [M+H]+, m/z=457.1/459.1 [M−H]−.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09278981B2 |
| Source dataset | uspto-grants-2016_03 |
| ORD ID | ord-894d9b33fbde44969c37830b1cfb4b71 |
| Source note | uspto-grants-2016_03 |