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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Phosgene | HCID 6371 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 1-(3-methyl-butylamino)-1H-pyrrole-2-carboxylic acid | HCID 59853586 | — |
| Solvent | Water | HCID 962 | — |
| Product | 4-(3-Methyl-butyl)-6-oxa-3a,4-diaza-indene-5,7-dione | HCID 59853569 | 57% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07582754B2 |
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| Source dataset | uspto-grants-2009_09 |
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| ORD ID | ord-949471a5688f4381b3215c1280f41b97 |
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| Source note | uspto-grants-2009_09 |
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