7-NITRO-3H-QUINAZOLIN-4-ONE Chemical Properties

Melting point:

276 °C

Boiling point:

381.3±44.0 °C(Predicted)

Density 

1?+-.0.1 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

pka

-0.72±0.20(Predicted)

Appearance

Light yellow to brown Solid

InChI

InChI=1S/C8H5N3O3/c12-8-6-2-1-5(11(13)14)3-7(6)9-4-10-8/h1-4H,(H,9,10,12)

InChIKey

LPCJURLBTXOJHS-UHFFFAOYSA-N

SMILES

N1C2=C(C=CC([N+]([O-])=O)=C2)C(=O)NC=1

Safety Information

HS Code 

2914390090

7-NITRO-3H-QUINAZOLIN-4-ONE Usage And Synthesis

Synthesis

2-Amino-4-nitrobenzoic acid (7.28 g, 40.0 mmol) and ammonium formate (3.78 g, 60.0 mmol) were added to 10 mL of formamide and heated to 150 °C, the reaction mixture was kept at this temperature for 16 hours. After completion of the reaction, it was cooled to room temperature to allow the product to precipitate. The precipitate was collected by filtration and washed with isopropanol and subsequently dried to give 6.62 g (86.6% yield) of brown needle-like crystals of 7-nitroquinazolin-4(3H)-one.

References

[1] Journal of the American Chemical Society, 2016, vol. 138, # 33, p. 10554 - 10560
[2] Patent: US2017/174638, 2017, A1. Location in patent: Paragraph 0045
[3] Tetrahedron Letters, 2003, vol. 44, # 24, p. 4455 - 4458
[4] Patent: CN103382182, 2016, B. Location in patent: Paragraph 0113; 0115-0117
[5] European Journal of Medicinal Chemistry, 2012, vol. 50, p. 264 - 273

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