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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2076774Generated: October 31, 2026

Sodium Bicarbonate → 2,5,6-Trichloro-3-(N-methoxyiminomethylidene)-1-(beta-D-ribofuranosyl)indole

https://huagongshe.com/reaction/2076774

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium BicarbonateHCID 516892—
ReactantO-Methylhydroxylamine hydrochlorideHCID 521874—
ReactantFtcriHCID 3011610—
ReactantMethanol--water (1/1)HCID 22242641—
SolventMethanolHCID 887—
SolventWaterHCID 962—
SolventSodium ThiosulfateHCID 24477—
Product2,5,6-Trichloro-3-(N-methoxyiminomethylidene)-1-(beta-D-ribofuranosyl)indoleHCID 8659896941%

Reaction Steps

To a solution of 2,5,6-trichloro-3-formyl-1-(β-D-ribofuranosyl)indole (4.3, 103 mg, 0.27 mmol) in MeOH (5 mL) was added a solution of methoxylamine hydrochloride (27 mg, 0.32 mmol) and sodium bicarbonate (22 mg, 0.26 mmol) in water (1.0 mL). The resulting mixture was stirred at room temperature for 16 h, then the solvent was evaporated to provide a pale yellow residue. The residue was suspended in 10 mL of 5% aqueous sodium thiosulfate and extracted with EtOAc (2×25 mL). The combined organic extracts were washed with brine (10 mL), dried over MgSO4, filtered and evaporated to yield a yellow residue. The residue was subjected to column chromatography (40×350 mm) on C18 reverse-phase silica gel with 80% MeOH/H2O. The appropriate UV-active fractions were pooled and evaporated to yield a white powder. The powder was recrystallized from Et2O to yield 45 mg (41%) of 4.30 as a white crystalline solid: mp 197-198 C; Rf 0.4 (10% MeOH/CHCl3); 1H NMR (500 MHz, DMSO-d6) δ 8.57 (s, 1H), 8.27 (s, 1H), 8.17 (s, 1H), 5.93 (d, 1H), 5.42 (d, 1H, D2O exch.), 5.40 (t, 1H, D2O exch.), 5.27 (d, 1H, D2O exch.), 4.42 (q, 1H), 4.14 (m, 1H), 4.00 (d, 1H), 3.96 (s, 3H), 3.71 (m, 2H). 13C NMR (125 MHz, DMSO-d6) δ 141.84, 133.04, 129.74, 126.09, 125.03, 123.82, 121.70, 115.46, 105.59, 88.85, 86.13, 71.43, 69.65, 61.84, 61.09. HRMS (EI) m/z calcd. for C15H15Cl3N2O5 408.0047, found 408.0047. Anal calcd for C15H15Cl3N2O5: C, 43.98; H, 3.69; N, 6.84. Found: C, 43.79; H, 3.68; N, 6.61.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07928080B2
Source datasetuspto-grants-2011_04
ORD IDord-afe47a5dd0d540e0bd53014e9a3da8db
Source noteuspto-grants-2011_04