HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2044367Generated: October 30, 2026
HCID 67050668, compound → HCID 58204474, compound
https://huagongshe.com/reaction/2044367
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 67050668 | HCID 67050668 | — |
| Catalyst | Palladium | HCID 23938 | — |
| Solvent | Acetonitrile | HCID 6342 | — |
| Product | HCID 58204474 | HCID 58204474 | 56.1% |
Reaction Steps
Alternatively, a degassed solution of 8-bromo-2-(4-isopropyl-4H-[1,2,4]triazol-3-yl)-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene (122 mg, 0.326 mmol) in IMS (10 mL) was added 10% Pd/C (15 mg), the reaction mixture stirred under an atmosphere of hydrogen for 1 h before the reaction mixture was filtered and the filtrate concentrated in vacuo. The resultant residue was dissolved in DCM and the solution washed with water, the organic layer dried (Na2SO4), filtered and concentrated in vacuo to give a residue. The residue was dissolved in acetonitrile and water and the solution freeze dried to give 2-(4-Isopropyl-4H-[1,2,4]triazol-3-yl)-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene as a white solid (54 mg, 56%). 1H NMR (400 MHz, CDCl3): δ 8.27-8.23 (m, 2H); 8.12 (t, J=1.02 Hz, 1H); 7.30-7.24 (m, 1H); 7.14-7.06 (m, 2H); 5.38-5.29 (m, 1H); 4.36 (t, J=5.10 Hz, 2H); 3.16 (td, J=5.10, 1.06 Hz, 2H); 1.63-1.54 (d, J=6.59 Hz, 6H). LCMS: RT=10.29 min, M+H+=296
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08586574B2 |
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| Source dataset | uspto-grants-2013_11 |
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| ORD ID | ord-9151fb068e954dab9b111eb18d8f85e5 |
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| Source note | uspto-grants-2013_11 |
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