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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1190280Generated: October 30, 2026

Water → HCID 58203878, compound

https://huagongshe.com/reaction/1190280

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPhosphorus oxychlorideHCID 24813—
Reactant8-Bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid amideHCID 67050530—
SolventPyridineHCID 1049—
ProductHCID 58203878HCID 5820387872%

Reaction Conditions

Temperature-30 °C

Reaction Steps

To a suspension of 8-bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carboxylic acid amide 25 (11.44 g, 35.2 mmol) in pyridine (115 mL) at −30° C. was added phosphorus oxychloride (8.4 mL, 91 mmol) dropwise over 10 minutes. The mixture was stirred at −30° C. for 1 hour then allowed to warm to RT and stirred for 2 hours. The mixture was poured into water, stirred for 10 minutes and the solid was collected by filtration. The solid was dissolved in EtOAc and washed with copper sulfate solution. The organic layer was passed through a silica pad eluting with EtOAc and the solvent was removed in vacuo to afford 8-bromo-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene-2-carbonitrile (7.78 g, 72%). 1H NMR δ (ppm) (DMSO-d6): 8.25 (1H, d, J=8.61 Hz), 7.38 (1H, dd, J=8.68, 2.23 Hz), 7.32-7.30 (1H, m), 4.39 (2H, t, J=5.01 Hz), 3.50-3.44 (2H, m)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08673952B2
Source datasetuspto-grants-2014_03
ORD IDord-769324e0a1304710800f819d8ef0ea79
Source noteuspto-grants-2014_03