HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1440147Generated: October 30, 2026
HCID 86747524, compound → HCID 19436759, compound
https://huagongshe.com/reaction/1440147
Participants
| Role | Name | HCID | Charge |
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| Reactant | HCID 86747524 | HCID 86747524 | — |
| Catalyst | Iron | HCID 23925 | — |
| Solvent | Acetic Acid | HCID 176 | — |
| Product | HCID 19436759 | HCID 19436759 | 50.8% |
Reaction Steps
A solution of 2.3 g (5.4 mmole) (5-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-4-fluoro-2-nitrophenoxy)acetic acid, ethyl ester in 50 mL acetic acid was heated to 80° C. under a nitrogen atmosphere. The heat and nitrogen were removed and 0.9 g (16.2 mmole) iron powder was added in 3 portions over 5 minutes. The solution was stirred at 80° C. for an additional 50 minutes. The solution was cooled and filtered through Celite®. The filtrate was diluted with 100 mL water and extracted three times with ethyl acetate. The ethyl acetate extracts were washed with a saturated NaHCO3 solution, dried over anhydrous MgSO4 and concentrated in vacuo. The residue was recrystallized from methylcyclohexane/ethyl acetate to give 0.96 g (50%) of 7-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-6-fluoro-2H-1,4-benzoxazin-3(4H)-one as a white solid, mp 242° C.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05496956 |
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| Source dataset | uspto-grants-1996_03 |
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| ORD ID | ord-b045793d1a8e432f898637c798df668c |
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| Source note | uspto-grants-1996_03 |
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