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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1817741Generated: November 1, 2026

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

https://huagongshe.com/reaction/1817741

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 numberUS07598283B2
Source datasetuspto-grants-2009_10
ORD IDord-556fb1d56c03493980e3132d049d51af
Source noteuspto-grants-2009_10