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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 730480Generated: October 30, 2026

Phosgene → 4-(3-Methyl-butyl)-6-oxa-3a,4-diaza-indene-5,7-dione

https://huagongshe.com/reaction/730480

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPhosgeneHCID 6371—
ReactantEthyl AcetateHCID 8857—
ReactantPotassium CarbonateHCID 11430—
Reactant1-(3-methyl-butylamino)-1H-pyrrole-2-carboxylic acidHCID 59853586—
SolventWaterHCID 962—
Product4-(3-Methyl-butyl)-6-oxa-3a,4-diaza-indene-5,7-dioneHCID 5985356957%

Reaction Conditions

Temperature0 °C

Reaction Steps

To a solution of 1-(3-methyl-butylamino)-1H-pyrrole-2-carboxylic acid (Example 1d, 0.25 g, 1.27 mmol) in water (2 mL) was added potassium carbonate (0.175 g, 1.27 mmol). The reaction mixture was cooled to 0° C. and phosgene (20% solution in toluene) (0.95 mL, 1.91 mmol) was slowly added dropwise. The resulting yellow solution was stirred for 16 h. Ethyl acetate (4 mL) was added and the layers were separated. The aqueous layer was extracted with ethyl acetate (3×5 mL). The combined organic layers were dried over magnesium sulfate, filtered and concentrated in vacuo. The crude product was purified by column chromatography (Merck silica gel 60, 40-63 μm, ethyl acetate/hexane, 20-50%) to afford the desired product, 4-(3-methyl-butyl)-6-oxa-3a,4-diaza-indene-5,7-dione (0.16 g, 0.72 mmol, 57% yield) as a tan solid. 1H NMR (400 MHz, DMSO-d6) δ 0.93 (6H, d, J=6.8 Hz), 1.56 (2H, m), 1.65 (1H, m), 4.16 (2H, t, J=7.2 Hz), 6.50 (1H, m), 7.08 (1H, m), 7.70 (1H, m).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07582754B2
Source datasetuspto-grants-2009_09
ORD IDord-949471a5688f4381b3215c1280f41b97
Source noteuspto-grants-2009_09