HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 85545Generated: October 28, 2026
Hydrochloric Acid → 4-Sec-butyl-1,2-dihydro-6-methyl-2-oxopyridine-3-carbonitrile
https://huagongshe.com/reaction/85545
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Oxygen | HCID 977 | — |
| Reactant | Cyanoacetamide | HCID 7898 | — |
| Reactant | 5-Methyl-3-hepten-2-one | HCID 5364554 | — |
| Reactant | Potassium tert-butoxide | HCID 23665647 | — |
| Reactant | 3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate | HCID 67124140 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Solvent | Water | HCID 962 | — |
| Product | 4-Sec-butyl-1,2-dihydro-6-methyl-2-oxopyridine-3-carbonitrile | HCID 68210256 | 53% |
Reaction Steps
To a stirred solution of t-BuOK (8 g, 71.42 mmol) and cyanoacetamide (6.6 g, 78.57 mmol) in DMSO (80 mL) was added (E)-5-methylhept-3-en-2-one, 2 (9 g, 71.42 mmol) under argon atmosphere at room temperature. The reaction mixture was stirred at room temperature for 1 h and then added additional t-BuOK (24 g, 214.28 mmol) was added. Then argon was displaced by oxygen and stirred at RT for 48 h. The reaction mixture was cooled to 0° C., diluted with water (36 mL) followed by 4N HCl (up to pH˜4) and the resulting reaction mixture was stirred for 15 min. The separated solid was collected by filtration, washed with water (10 mL), pet ether (100 mL) and dried to afford the title compound as yellow solid (7 g, 53%). 1H NMR (DMSO-d6, 400 MHz): δ 0.816-0.779 (t, 3H, J=7.6 Hz), 1.178-1.161 (d, 3H, J=6.8 Hz), 1637-1.505 (m, 2H), 2.24 (s, 3H), 2.814-2.760 (m, 1H), 6.239 (s, 1H), 12.324 (bs, 1H); LCMS (ES−) m/z=189.20 (M−H)
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08846935B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-bdf06db785e841b8aa4c462587de416a |
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| Source note | uspto-grants-2014_09 |
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