HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 600428Generated: October 29, 2026
Methanesulfonic Acid → 6-chloro-2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-((R)-8-fluorochroman-4-yl)-7H-purin-8(9H)-one
https://huagongshe.com/reaction/600428
Participants
| Role | Name | HCID | Charge |
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| Reactant | Methanesulfonic Acid | HCID 6395 | — |
| Reactant | Trimethyl orthoformate | HCID 9005 | — |
| Reactant | (R)-2-(2-amino-5-fluorophenylamino)-6-chloro-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one | HCID 86622939 | — |
| Solvent | Methanol | HCID 887 | — |
| Product | 6-chloro-2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-((R)-8-fluorochroman-4-yl)-7H-purin-8(9H)-one | HCID 57612698 | 62% |
Reaction Steps
To a round bottom flask containing (R)-2-(2-amino-5-fluorophenylamino)-6-chloro-9-(8-fluorochroman-4-yl)-7H-purin-8(9H)-one (0.65 mmol) was added anhydrous methanol (45 mL), followed by anhydrous trimethylorthoformate (5 mL) and methane sulfonic acid (0.1 mL) and the reaction mixture was stirred under Ar at room temperature until it was complete (HPLC monitoring). Preparative HPLC purification, after evaporation of solvent and drying, provided the desired product (184 mg, 62% yield on two steps), as a white solid. 1H NMR (300 MHz, CDCl3) δ, ppm: 9.38 (br s, 1H), 9.01 (s, 1H), 7.84-7.79 (m, 1H), 7.64-7.60 (m, 1H), 7.20-7.13 (m, 1H), 7.10-7.03 (m, 1H), 6.79-6.67 (m, 2H), 5.97-5.92 (m, 1H), 4.68-4.62 (m, 1H), 4.51-4.40 (m, 1H), 2.95-2.83 (m, 1H), 2.41-2.36 (m, 1H); MS (EI) m/z 454.9 (MH)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07902187B2 |
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| Source dataset | uspto-grants-2011_03 |
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| ORD ID | ord-a36aa3d616cf499d84d90aa44a5e7ed3 |
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| Source note | uspto-grants-2011_03 |
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