HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 535981Generated: October 30, 2026
Phosphorus oxychloride → HCID 46912982, compound
https://huagongshe.com/reaction/535981
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Phosphorus oxychloride | HCID 24813 | — |
| Reactant | Phosphorus pentachloride | HCID 24819 | — |
| Reactant | HCID 69481133 | HCID 69481133 | — |
| Product | HCID 46912982 | HCID 46912982 | 50% |
Reaction Steps
A mixture of 1-(3-fluoro-4-trifluoromethyl-benzyl)-1H-pyrazole-4-carboxylic acid (6-amino-2,4-dioxo-3-propyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-amide (0.8 g, 1.76 mmol), POCl3 (25 ml) and PCl5 (0.2 g) were heated at 125-130° C. for 20 hours. Reaction mixture was cooled to 20-25° C. and it was concentrated under vacuum. To this reaction mixture brine (50 ml) was added and extracted with ethyl acetate (3×2 ml). The combined organic layer was dried over Na2SO4 and evaporated to dryness. The crude product was purified by column chromatography using silica gel (100-200 mesh) and 2 to 4% methanol in DCM as an eluent to obtain 2-Chloro-8-[1-(3-fluoro-4-trifluoromethyl-benzyl)-1H-pyrazol-4-yl]-1-propyl-1,7-dihydro-purin-6-one (0.4 g, 50%) as a pale brown solid.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08859566B2 |
|---|
| Source dataset | uspto-grants-2014_10 |
|---|
| ORD ID | ord-dac47beea17e43c4950fe7b64a08e80c |
|---|
| Source note | uspto-grants-2014_10 |
|---|