HuagongsheHuagongshe Chemistry Print Report · For research reference only
Pentanenitrile, 4,4-dimethyl-3-oxo- → 5-Amino-3-tert-butyl-1-(2-methylpyridine-5-yl)pyrazole
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Pentanenitrile, 4,4-dimethyl-3-oxo- | HCID 108871 | — |
| Reactant | 5-Hydrazinyl-2-methylpyridine--hydrogen chloride (1/1) | HCID 24820511 | — |
| Solvent | Ethanol | HCID 702 | — |
| Product | 5-Amino-3-tert-butyl-1-(2-methylpyridine-5-yl)pyrazole | HCID 11401974 | 71% |
Reaction Steps
A mixture of 5-hydrazinyl-2-methylpyridine hydrochloride from Example B27 (5.0 g, 31.4 mmol) and 4,4-dimethyl-3-oxopentanenitrile (8.3 g, 66.3 mmol) in EtOH (50 mL) was heated at reflux overnight. The reaction was concentrated and the residue was dissolved in EtOAc and neutralized with saturated Na2CO3 solution. The organic layer was dried (Na2SO4), concentrated in vacuo and purified by column chromatography to yield 3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-amine (5.2 g, 71% yield). 1HNMR (400 MHz, CDCl3) δ 8.72 (s, 1 H), 7.81 (dd, J=8.0, 2.4 Hz, 1 H), 7.23 (d, J=8.4 Hz, 1 H), 5.54 (s, 1 H), 3.71 (br s, 1 H), 2.58 (s, 3 H), 1.29 (s, 9 H); MS (ESI) m/z: 231.2 (M+H+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08188113B2 |
| Source dataset | uspto-grants-2012_05 |
| ORD ID | ord-52ba7c88256d4dd3a9ea135427487c12 |
| Source note | uspto-grants-2012_05 |