HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 408746Generated: October 26, 2026
Hydrochloric Acid → methyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate
https://huagongshe.com/reaction/408746
Participants
| Role | Name | HCID | Charge |
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| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | 3,5-Diamino-2-methylbenzoic acid | HCID 135524 | — |
| Reactant | Bis-(1H-imidazol-2-YL)-methanone | HCID 5250894 | — |
| Solvent | Water | HCID 962 | — |
| Product | methyl 2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylate | HCID 10352553 | — |
Reaction Steps
To a solution of 3,4-diamino-benzoic acid methyl ester (5.00 g, 30.1 mmol) and THF (40 mL), was added carbonyl diimidazole (7.32 g, 45.1 mmol) at 0° C. The mixture stirred for 16 h, and allowed to warm to 23° C. A solution of 1M aq. HCl (50 mL) was added at 0° C., followed by water (70 mL) and the mixture was stirred for 1 h. The resulting precipitate was filtered and dried under reduced pressure for 18 h to yield the titled compound, which was used in the next step without further purification (5.45 g, 94%). MS (ESI/CI): mass calcd. for C9H8N2O3, 192.1; m/z found, 193.1 [M+H]+. 1H NMR (400 MHz, CDCl3): 11.01 (s, 1H), 10.84 (s, 1H), 7.63 (dd, J=8.2, 1.6 Hz, 1H), 7.47 (s, 1H), 7.02 (d, J=8.2 Hz, 1H), 3.82 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08759345B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-c49214a9df054de891d466af053701c0 |
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| Source note | uspto-grants-2014_06 |
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