HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1876545Generated: October 26, 2026
N-methyl-2-pyrrolidone → 5-{9-Isobutyl-8-[4-(methylsulfonyl)-1,4-diazepan-1-yl]-6-morpholin-4-yl-9H-purin-2-yl}pyrimidin-2-amine
https://huagongshe.com/reaction/1876545
Participants
| Role | Name | HCID | Charge |
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| Reactant | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Reactant | Methanesulfonyl chloride | HCID 31297 | — |
| Reactant | Hexahydro-1,4-diazepine | HCID 68163 | — |
| Reactant | 5-(8-Chloro-9-isobutyl-6-morpholino-9H-purin-2-yl)pyrimidin-2-amine | HCID 59333549 | — |
| Solvent | Triethylamine | HCID 8471 | — |
| Product | 5-{9-Isobutyl-8-[4-(methylsulfonyl)-1,4-diazepan-1-yl]-6-morpholin-4-yl-9H-purin-2-yl}pyrimidin-2-amine | HCID 59333660 | 110.9% |
Reaction Steps
Homopiperazine (130 mg, 1.3 mmol) and N-methylpyrrolidone (1 ml) were added to 5-(8-chloro-9-isobutyl-6-morpholin-4-yl-9H-purin-2-yl)pyrimidin-2-amine (100 mg, 0.26 mmol) and the resulting mixture stirred at 120° C. for 2 hours. The reaction mixture was cooled and partitioned with methylene chloride and water, the organic layer was dried over magnesium sulfate, and the solvent was concentrated under reduced pressure. Triethylamine (110 μl) and mesyl chloride (45 μl, 0.58 mmol) were added to the resulting mixture and the resulting mixture was stirred for 0.5 hours. The reaction mixture was partitioned with ethyl acetate and water and the organic layer was dried over magnesium sulfate. The solvent was evaporated under reduced pressure and the residue was purified by preparative HPLC (column, NOMURA Develosil Combi-RP-5; mobile phase, acetonitrile/water/formic acid) to give the title compound (153 mg, 75%) as a white solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08309546B2 |
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| Source dataset | uspto-grants-2012_11 |
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| ORD ID | ord-cbaf247855bd48caaa18cfafd32bf9ec |
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| Source note | uspto-grants-2012_11 |
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