Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Azetidine | HCID 10422 | — |
| Reactant | Phosphorus oxychloride | HCID 24813 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | HCID 136350285 | HCID 136350285 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | HCID 68181924 | HCID 68181924 | — |
Reaction Steps
Phosphorus oxychloride (0.046 mL, 0.503 mmol) was added to a mixture of 5-(5-bromo-1-methyl-1H-pyrazol-4-yl)imidazo[5,1-f][1,2,4]triazin-4(3H)-one (50 mg, 0.17 mmol) in toluene (1 mL). After addition of N,N-diisopropylethylamine (99.5%, 0.149 mL, 0.84 mmol), the reaction was allowed to stir at room temperature for 18 hours. After removal of solvent in vacuo, the residue was dissolved in dichloromethane and treated with azetidine (0.023 mL, 0.34 mmol). After 66 hours, the reaction was concentrated under reduced pressure and the residue was purified by silica gel chromatography (Gradient: 0% to 10% methanol in ethyl acetate) to provide C8. Yield: 25 mg, 0.075 mmol, 44%. LCMS m/z 336.1 (M+1). 1H NMR (400 MHz, CD3OD) δ 2.26-2.34 (m, 2H), 3.5-4.4 (v br m, 4H), 3.97 (s, 3H), 7.70 (s, 1H), 7.84 (s, 1H), 8.47 (s, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09200000B2 |
|---|
| Source dataset | uspto-grants-2015_12 |
|---|
| ORD ID | ord-ebad8900d03c4e8e9ab6fa1dac48f54c |
|---|
| Source note | uspto-grants-2015_12 |
|---|