HuagongsheHuagongshe Chemistry Print Report · For research reference only
Isopropanol → 1-Isopropyl-4-nitro-1H-pyrazole
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | 4-nitro-1H-pyrazole | HCID 16376 | — |
| Reactant | Di-tert-butyl azodicarboxylate | HCID 97268 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 1-Isopropyl-4-nitro-1H-pyrazole | HCID 13469824 | 149% |
Reaction Steps
Di-tert-butyl azodicarboxylate (1.59 g, 6.91 mmol) was added to a solution of 4-nitro-1H-pyrazole (601 mg, 5.32 mmol), 2-propanol (319 mg, 5.32 mmol) and triphenylphosphine (1.67 g, 6.36 mmol) in tetrahydrofuran (25 mL) over 3 minutes and the mixture was stirred at room temperature for 16 h. After this time, the reaction was concentrated under reduced pressure and the resulting residue purified by chromatography (silica, gradient, 1:4 ethyl acetate/heptane to 7:3 ethyl acetate/heptane) to afford 1-isopropyl-4-nitro-1H-pyrazole (1) (1.23 g, >100%) as an impure off-white solid, which was used without further purification: 1H NMR (300 MHz, DMSO-d6) δ 8.91 (s, 1H), 8.24 (s, 1H), 4.58 (m, 1H), 1.42 (d, J=6.6 Hz, 6H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08796270B2 |
| Source dataset | uspto-grants-2014_08 |
| ORD ID | ord-2b3fe7a65bdb49c5ae562cd3d5fa0803 |
| Source note | uspto-grants-2014_08 |