HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 626691Generated: November 1, 2026
Acetonitrile → 3,5-Dichloro-4-[4-(6-fluoromethyl-pyrimidin-4-ylamino)-pyrazolo[4,3-c]pyridin-2-yl]-benzonitrile
https://huagongshe.com/reaction/626691
Participants
| Role | Name | HCID | Charge |
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| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | (Diethylamino)sulfur trifluoride | HCID 123472 | — |
| Reactant | 3,5-Dichloro-4-[4-(6-hydroxymethyl-pyrimidin-4-ylamino)-pyrazolo[4,3-c]pyridin-2-yl]-benzonitrile | HCID 69671341 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | Ammonium Hydroxide | HCID 14923 | 0.1% |
| Product | 3,5-Dichloro-4-[4-(6-fluoromethyl-pyrimidin-4-ylamino)-pyrazolo[4,3-c]pyridin-2-yl]-benzonitrile | HCID 67702230 | 28.4% |
Reaction Steps
To a suspension of 3,5-dichloro-4-[4-(6-hydroxymethyl-pyrimidin-4-ylamino)-pyrazolo[4,3-c]pyridin-2-yl]-benzonitrile (70 mg, 0.17 mmol) in DCM (5 mL) at −25° C. was added DAST (34 μL, 0.25 mmol). The reaction mixture was warmed to room temperature over 1 hour. The reaction mixture was partitioned between DCM and sodium bicarbonate (sat. aq.). The organic layer was dried over anhydrous sodium sulfate and concentrated under reduced pressure. The residue was purified by silica gel chromatography (0-100% ethyl acetate in cyclohexane) then by HPLC (5 to 98% acetonitrile in water with 0.1% ammonium hydroxide) to afford the title compound as a white solid (10 mg, 14% yield). 1H NMR (400 MHz, DMSO-d6): δ 10.96 (s, 1H), 9.23 (s, 1H), 8.81 (s, 1H), 8.69 (s, 1H), 8.49 (s, 2H), 8.02 (d, J=6.4 Hz, 1H), 7.27 (d, J=6.4 Hz, 1H), 5.50 (d, J=46.3 Hz, 2H). LCMS (Method B): RT=2.96 min, m/z: 414 [M+H+].
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09309240B2 |
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| Source dataset | uspto-grants-2016_04 |
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| ORD ID | ord-dae28d60c03447f8ac8701b0937e4a15 |
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| Source note | uspto-grants-2016_04 |
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