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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1440147Generated: October 30, 2026

HCID 86747524, compound → HCID 19436759, compound

https://huagongshe.com/reaction/1440147

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 86747524HCID 86747524—
CatalystIronHCID 23925—
SolventAcetic AcidHCID 176—
ProductHCID 19436759HCID 1943675950.8%

Reaction Conditions

Temperature80 °C

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05496956
Source datasetuspto-grants-1996_03
ORD IDord-b045793d1a8e432f898637c798df668c
Source noteuspto-grants-1996_03