| Identification | Back Directory | [Name]
7-NITRO-3H-QUINAZOLIN-4-ONE | [CAS]
20872-93-9 | [Synonyms]
7-NITRO-4-QUINAZOLINOL
7-Nitroquinazolin-4-ol
7-nitro-4-quinazolinone
7-Nitroquinazolin-4(3H)-one
7-Nitro-4(3H)-quinazolinone
7-NITRO-3H-QUINAZOLIN-4-ONE
7-NITRO-4(1H)-QUINAZOLINONE
7-nitro-1H-quinazolin-4-one
7-nitroquinazolin-4(1H)-one
4(3H)-Quinazolinone, 7-nitro-
4(1H)-Quinazolinone, 7-nitro-
7-NITRO-4-HYDROXYQUINONAZOLINE
7-Nitro-4(3H)-quinazolinone, 95+%
7-Nitroquinazolin-4(1H)-one, 7-Nitroquinazolin-4-ol | [Molecular Formula]
C8H5N3O3 | [MDL Number]
MFCD00089998 | [MOL File]
20872-93-9.mol | [Molecular Weight]
191.14 |
| Chemical Properties | Back Directory | [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 |
| Hazard Information | Back Directory | [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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