| Identification | Back Directory | [Name]
6-NITRO-1,3-BENZOXAZOLE | [CAS]
17200-30-5 | [Synonyms]
6-Nitrobenzoxazole
6-Nitro-benzooxazole
Benzoxazole, 6-nitro-
6-NITRO BENZOXAZOLONE
6-Nitrobenzo[d]oxazole
6-NITRO-1,3-BENZOXAZOLE | [EINECS(EC#)]
200-258-5 | [Molecular Formula]
C7H4N2O3 | [MDL Number]
MFCD00797933 | [MOL File]
17200-30-5.mol | [Molecular Weight]
164.12 |
| Chemical Properties | Back Directory | [Melting point ]
150-152° | [Boiling point ]
165-168 °C(Press: 15 Torr) | [density ]
1.473±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [pka]
-2.05±0.30(Predicted) | [Appearance]
Light yellow to yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 6-nitrobenzo[d]oxazole: To a stirred solution of 2-amino-5-nitrophenol (0.5 g, 1 eq.) in triethyl orthoformate (2.7 mL, 5 eq.) was added p-toluenesulfonic acid monohydrate (0.031 g, 0.5 eq.). The reaction mixture was heated at 80 °C for 1 hour. Upon completion of the reaction, the mixture was cooled to 0 °C and the precipitate formed was collected by filtration. The precipitate was washed sequentially with ice-cold ether and water. Finally, the solid product was dried under vacuum to afford 6-nitrobenzo[d]oxazole (0.38 g, 72% yield). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 9.12 (s, 1H), 8.79 (s, 1H), 8.34 (d, J = 8.40 Hz, 1H), 8.07 (d, J = 8.80 Hz, 1H). | [References]
[1] Green Chemistry, 2013, vol. 15, # 9, p. 2365 - 2368
[2] Patent: WO2014/74657, 2014, A1. Location in patent: Paragraph 00258 |
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