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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1370006Generated: November 2, 2026

Methanol → N2-Acetyl-9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine

https://huagongshe.com/reaction/1370006

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanolHCID 887—
ReactantAcetyl chlorideHCID 6367—
ReactantChlorotrimethylsilaneHCID 6397—
ReactantPenciclovirHCID 135398748—
SolventPyridineHCID 1049—
ProductN2-Acetyl-9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanineHCID 136077201—

Reaction Steps

To a suspension of 9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine (0.23 g, 0.9 mmol) in pyridine (3 ml) was added chlorotrimethylsilane (0.25 ml, 2.0 mmol) and the mixture was stirred for 15 minutes. To this mixture was added acetyl chloride (0.085 ml, 1.2 mmol) and the mixture was stirred for 30 minutes. Methanol (2 ml) was the added and the mixture was stirred for a further 30 minutes. The solvent was removed and the residue purified by column chromatography on silica gel eluting with chloroform-methanol mixtures (4:1, 5:2) to give the title compound as its hydrochloride salt. This was dissolved in methanol and stirred with potassium carbonate. The solution was filtered and the solvent removed. The residue was taken up in water and passed through C18-Sep-pak cartridges. Fractions containing product were pooled and the solvent removed to afford N2-acetyl-9-(4-hydroxy-3-hydroxymethylbut-1-yl)guanine (0.11 g, 41%), m.p. 143-146° C.; λmax (H2O) 260 (15,100) nm; νmax (KBr) 3420, 3200, 2940, 1685, 1615, and 1560 cm−1; δH [(CD3)2SO] 1.46 (1H, m, 3′-H), 1.77 (2H, q, J 7.1 Hz, 2′-H), 2.18 (3H, s, CH3), 3.3-3.5 (4H, m, 2×4′-H), 4.13 (2H, t, J 7.4 Hz, 1′-H), 4.42 (2H, br.t, J 5 Hz, D2O exchangeable, 2×OH), 7.98 (1H, s, 8-H), and 11.83 (2H, br, D2O exchangeable, 1-H and 2-NH).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06579981B1
Source datasetuspto-grants-2003_06
ORD IDord-604c160ac051429a95a89172c5ff07fb
Source noteuspto-grants-2003_06