HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1378726Generated: October 27, 2026
O-Phenylenediamine → 3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
https://huagongshe.com/reaction/1378726
Participants
| Role | Name | HCID | Charge |
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| Reactant | O-Phenylenediamine | HCID 7243 | — |
| Reactant | Diisopropylamine | HCID 7912 | — |
| Reactant | Propanoic acid, 2-bromo-2-methyl-, ethyl ester | HCID 11745 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one | HCID 595203 | — |
Reaction Steps
A mixture of 1,2-phenylenediamine (II, 7.55 g), ethyl 2-bromoisobutyrate (III, 12.8 ml), diisopropylamine (15.5 ml) and DMF (30 ml) is heated at 110° for 5 hr, after which an additional ethyl bromoisobutyrate (III, 0.5 ml) and diiopropylethylamine (0.8 ml) is added. After heating for 2 more hours, the reaction is cooled and the DMF is removed in under reduced pressure. The residue is stored overnight in the freezer and then partitioned between ethyl acetate, water, and saline. The phases are separated and the organic phase is dried over magnesium sulfate, the organic phase is removed under reduced pressure. The residue is chromatographed eluting with ethyl acetate/dichloromethane (20/80). The product crystallizes out in the column. The product is recrystallized from dichloromethane/hexane to give the title compound, mp 173°-174°; NMR (CDCl3) 1.41, 3.72, 6.67, 6.76, 6.87 and 8.50 δ.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05668282 |
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| Source dataset | uspto-grants-1997_09 |
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| ORD ID | ord-4fa25d99a5ce4d30970499f2cdf9bff2 |
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| Source note | uspto-grants-1997_09 |
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