HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 925574Generated: October 29, 2026
Sodium Iodide → 6-Oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-6,7-dihydro-1H-purine-2-carbonitrile
https://huagongshe.com/reaction/925574
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Iodide | HCID 5238 | — |
| Reactant | Dimethylformamide | HCID 6228 | — |
| Reactant | Sodium Cyanide | HCID 8929 | — |
| Reactant | 2-Chloro-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,7-dihydro-purin-6-one | HCID 66803294 | — |
| Solvent | Water | HCID 962 | — |
| Product | 6-Oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-6,7-dihydro-1H-purine-2-carbonitrile | HCID 66803569 | 67% |
Reaction Steps
A mixture of 2-Chloro-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1,7-dihydro-purin-6-one (4.0 g, 9.16 mmol), NaCN (0.67 g, 13.74 mmol), NaI (2.0 g, 9.16 mmol) and DMF (30 ml) were stirred for 48 hrs at 60° C. Reaction mixture was cooled to 20-25° C. and water was added and solid filtered off. The crude product was purified by column chromatography using silica gel (100-200 mesh) and 2 to 4% methanol in DCM as an eluent to obtain 6-Oxo-1-propyl-8-[1-(3-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-6,7-dihydro-1H-purine-2-carbonitrile (2.6 g, 67%) as an off white solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09284316B2 |
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| Source dataset | uspto-grants-2016_03 |
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| ORD ID | ord-05d2244c69964e45afe2b09875c89b88 |
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| Source note | uspto-grants-2016_03 |
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