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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 560944Generated: October 30, 2026

NaNCO → n-[4-(3-Amino-1,2-benzisoxazol-4-yl)phenyl]urea

https://huagongshe.com/reaction/560944

Reaction equation

Participants

RoleNameHCIDCharge
ReactantNaNCOHCID 11051568—
Reactant4-(4-Aminophenyl)-1,2-benzoxazol-3-amineHCID 24768394—
SolventAcetic AcidHCID 176—
SolventWaterHCID 962—
Productn-[4-(3-Amino-1,2-benzisoxazol-4-yl)phenyl]ureaHCID 1126564765.2%

Reaction Steps

A solution of Example 261A (45 mg, 0.2 mmol) and sodium isocyanate (26 mg, 0.4 mmol) in HOAc (0.5 mL) and H2O (0.5 mL) was stirred overnight at rt, then diluted with water. The precipitated solid was collected by filtration and recrystallized from THF/hexanes to give an offwhite solid (35 mg, 65%). 1H NMR (300 MHz, DMSO-D6) δ ppm 5.20 (s, 2H) 5.92 (s, 2H) 7.11 (dd, J=7.3, 0.9 Hz, 1H) 7.37 (d, J=8.5 Hz, 2H) 7.46 (dd, J=8.5, 1.0 Hz, 1H) 7.57 (d, J=8.5 Hz, 2H) 7.57 (dd, J=8.1, 7.1 Hz, 1H) 8.72 (s, 1H) MS (ESI(+)) m/e 269.0 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08063091B2
Source datasetuspto-grants-2011_11
ORD IDord-0a9e9412a79c4710841ab43033791350
Source noteuspto-grants-2011_11