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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2274408Generated: October 31, 2026

Water → HCID 57812854, compound

https://huagongshe.com/reaction/2274408

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantPotassium CarbonateHCID 11430—
Reactant4,5-Difluoro-2-nitroanilineHCID 157151—
Reactant1,4-Oxazepane hydrochlorideHCID 23090214—
SolventDimethylformamideHCID 6228—
ProductHCID 57812854HCID 5781285488.7%

Reaction Conditions

Temperature80 °C

Reaction Steps

19.4 g of potassium carbonate and 11.9 g of homomorph-oline hydrochloride are added to a solution of 5 g of 4,5-difluoro-2-nitroaniline in 98 mL of anhydrous DMF. The reaction medium is heated at 80° C. using an oil bath for 2 hours. The reaction medium is cooled to ambient temperature, then 300 mL of water are added thereto, and precipitation occurs. The precipitate is filtered through sintered glass. The yellow solid is rinsed with 3 times 100 mL of water. The solid is dried in an oven at 70° C. 6.5 g of 4-fluoro-2-nitro-5-perhydro-1,4-oxazepin-4-ylphenylamine are obtained in the form of an orange solid. 1H NMR (400 MHz, DMSO-d6, δ in ppm): 1.91 (m, 2H); from 3.52 to 3.61 (m, 4H); 3.66 (m, 2H); 3.74 (m, 2H); 6.28 (d, J=8.5 Hz, 1H); 7.24 (broad s, 2H); 7.61 (d, J=15.5 Hz, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09126969B2
Source datasetuspto-grants-2015_09
ORD IDord-7e95e20240f9409a8d470706db1fff9d
Source noteuspto-grants-2015_09