HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1773334Generated: October 27, 2026
Phenyl Isothiocyanate → 7-Isobutyl-5-methyl-3-(phenylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
https://huagongshe.com/reaction/1773334
Participants
| Role | Name | HCID | Charge |
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| Reactant | Phenyl Isothiocyanate | HCID 7673 | — |
| Reactant | 6-hydrazino-1-isobutyl-3-methyl-2,4(1H,3H)-pyrimidinedione | HCID 19356084 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 7-Isobutyl-5-methyl-3-(phenylamino)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | HCID 25178069 | 41% |
Reaction Steps
Phenyl isothiocyanate (0.17 mL, 1.4 mmol) is added to a solution of 6-hydrazinyl-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione (31 mg, 0.47 mmol) in DMF (10 mL). The reaction mixture is heated at 120° C. for 6 hours, and then evaporated to remove solvent under reduced pressure. The residue is further purified by silica-gel flash chromatography to give 20 mg of product (Yield: 41%). 1H NMR (400 MHz, DMSO-d6) 50.95 (s, 3H), 0.97 (s, 3H), 2.30 (m, 1H), 3.37 (s, 3H), 3.77 (d, 2H), 7.16-7.43 (m, 5H), 7.61 (s, 1H). MS (FAB) m/z 314.3 [M+H]+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09255099B2 |
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| Source dataset | uspto-grants-2016_02 |
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| ORD ID | ord-7416de95fdad43729f6440a19571514b |
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| Source note | uspto-grants-2016_02 |
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