7-FLUORO-1-H-BENZO[D][1,3]OXAZINE-2,4-DIONE Chemical Properties

Melting point:

229-231 °C (decomp)

Density 

1.502±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

pka

9.91±0.20(Predicted)

form 

crystalline needles

color 

Cream/fawn

Safety Information

HazardClass 

IRRITANT

HS Code 

2934999090

7-FLUORO-1-H-BENZO[D][1,3]OXAZINE-2,4-DIONE Usage And Synthesis

Synthesis

Step A- Synthesis of intermediate compound Int-4a: To a solution of 2-amino-4-fluorobenzoic acid (15.5 g, 100 mmol) in tetrahydrofuran (THF, 200 mL) was slowly added triphosgene (27.9 g, 105 mmol) at 0 °C. The reaction mixture was warmed up to 50 °C with continuous stirring for 6 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting crude product was ground with a solvent mixture of ethyl acetate/petroleum ether (1:1, v/v) and the solid was collected by filtration to afford the intermediate compound Int-4a (15.7 g, 85% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 11.9 (s, 1H), 7.95-7.98 (m, 1H), 7.06-7.11 (m, 1H), 6.84-6.89 (m, 1H).

References

[1] Patent: WO2014/11769, 2014, A1. Location in patent: Page/Page column 35
[2] Patent: WO2014/8636, 2014, A1. Location in patent: Page/Page column 35
[3] Patent: US2015/203512, 2015, A1. Location in patent: Paragraph 0191; 0192
[4] Journal of Medicinal Chemistry, 2006, vol. 49, # 3, p. 971 - 983
[5] Patent: WO2010/79431, 2010, A2. Location in patent: Page/Page column 47-49

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