HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1046830Generated: October 28, 2026
Sodium Bicarbonate → 7-(4-Cyanophenyl)-5-methyl-2-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
https://huagongshe.com/reaction/1046830
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 4-(2-Cyano-3-oxobut-1-en-1-yl)benzonitrile | HCID 66628080 | — |
| Reactant | HCID 178440450 | HCID 178440450 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 7-(4-Cyanophenyl)-5-methyl-2-(propan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile | HCID 136355676 | — |
Reaction Steps
Under an atmosphere of argon, 3-isopropyl-1H-1,2,4-triazole-5-amine (241 mg, 1.9 mmol) and 4-(2-cyano-3-oxobut-1-en-1-yl)benzonitrile (300 mg, 1.5 mmol, 0.8 eq.) were dissolved in DMF (3 ml), and solid sodium bicarbonate (803 mg, 9.6 mmol, 5 eq.) was added. The mixture was stirred at 55° C. overnight. The mixture was then filtered and the DMF was distilled off from the filtrate under reduced pressure. The residue was suspended in methanol (2 ml), and the solid was then filtered off and dried under high vacuum (34 mg, 7% of theory). The filtrate was acidified with 1 N hydrochloric acid and purified by preparative HPLC (Kromasil C18 column, 30×250 mm; mobile phase: acetonitrile-water-0.1% TFA), which gave a second product fraction (67 mg, 13% of theory) as a solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08569314B2 |
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| Source dataset | uspto-grants-2013_10 |
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| ORD ID | ord-8be775331dd0458185c33a60e3b7d307 |
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| Source note | uspto-grants-2013_10 |
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