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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1629174Generated: October 31, 2026

HCID 67050668, compound → HCID 58204474, compound

https://huagongshe.com/reaction/1629174

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 67050668HCID 67050668—
CatalystPalladiumHCID 23938—
SolventAcetonitrileHCID 6342—
ProductHCID 58204474HCID 5820447456.1%

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, 2 H); 8.12 (t, J=1.02 Hz, 1 H); 7.30-7.24 (m, 1 H); 7.14-7.06 (m, 2 H); 5.38-5.29 (m, 1 H); 4.36 (t, J=5.10 Hz, 2 H); 3.16 (td, J=5.10, 1.06 Hz, 2 H); 1.63-1.54 (d, J=6.59 Hz, 6 H). LCMS: RT=10.29 min, M+H+=296

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08785626B2
Source datasetuspto-grants-2014_07
ORD IDord-48ee843847c14f9bb850e075fbb79c9d
Source noteuspto-grants-2014_07